3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxyamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester
Basic information
- CAS
133147-07-6- Standard SMILES
CCONC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1- InChIKey
HLYFDJPBVXAUBJ-UHFFFAOYSA-N- Molecular formula
- C18H21N3O6
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.1430354
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxyamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester
- IUPAC
- methyl 5-(ethoxycarbamoyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Names & synonyms
133147-07-63-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxyamino)carbonyl)-4-(3-nitrophenyl)-, methyl esterRefChem:1068672BRN 4274380DTXSID20927962N-Ethoxy-5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboximidic acid
Database identifiers
- CAS
133147-07-6- PubChem CID
- 3076977
- DTXSID
DTXSID20927962- Nikkaji
- J362.602D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 679
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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