3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-5-(((2-propenyloxy)amino)carbonyl)-, methyl ester
Basic information
- CAS
133147-09-8- Standard SMILES
C=CCONC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1- InChIKey
UXOXUOKEULANPM-UHFFFAOYSA-N- Molecular formula
- C19H21N3O6
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 387.1430354
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-5-(((2-propenyloxy)amino)carbonyl)-, methyl ester
- IUPAC
- methyl 2,6-dimethyl-4-(3-nitrophenyl)-5-(prop-2-enoxycarbamoyl)-1,4-dihydropyridine-3-carboxylate
Names & synonyms
BRN 4274300133147-09-83-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-5-(((2-propenyloxy)amino)carbonyl)-, methyl esterRefChem:282184DTXSID409279645-(Methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-N-[(prop-2-en-1-yl)oxy]-1,4-dihydropyridine-3-carboximidic acid
Database identifiers
- CAS
133147-09-8- PubChem CID
- 3076979
- DTXSID
DTXSID40927964- Nikkaji
- J362.604K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 722
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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