3-(Carboxymethyl) 5-methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
Basic information
- CAS
104305-95-5- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(=O)O)C1c1cccc([N+](=O)[O-])c1- InChIKey
HWGRWZAHCKCUSI-UHFFFAOYSA-N- Molecular formula
- C18H18N2O8
- Average molar mass
- 390.3 g/mol
- Monoisotopic mass
- 390.10631554
Names & identifiers
- Preferred name
- 3-(Carboxymethyl) 5-methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
- IUPAC
- 2-[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxyacetic acid
- English name
- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophen yl)-, carboxymethyl methyl ester
- Molecular formula
- C18H18N2O8
- Molecular weight
- 390.34
Names & synonyms
DHM 9104305-95-594HD69LL1T3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, carboxymethyl methyl esterDHM9RefChem:9110583-(Carboxymethyl) 5-methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylateDHM-92-[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxyacetic acidUNII-94HD69LL1TSCHEMBL30357976DTXSID00908911
Show more names
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophen yl)-, carboxymethyl methyl ester1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid 3-carboxymethyl 5-methyl ester
Carboxylmethyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinecarboxylate3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophen yl)-, carboxymethyl methyl esQ27271685{[5-(Methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxy}acetic acid3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, 3-(CARBOXYMETHYL) 5-METHYL ESTER
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 749
Physicochemical properties
- Boiling point
- 576.8 · 576.8±50.0 °C(Predicted)
- Density
- 1.377 · 1.377±0.06 g/cm3(Predicted)
- pka
- 2.68 · 2.68±0.70(Predicted)
- FDA UNII
- 94 HD69LL1T · 94HD69LL1T
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…