2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid monomethyl ester
Properties
- Molecular formula
- C16H16N2O6
- Molar mass
- 332.31 g/mol
- Exact mass
- 332.1008 Da
- Melting point
- 189–190 °C
- logP
- 2.09Crippen estimate
- Polar surface area
- 118.8 Ų
- H-bond donors / acceptors
- 2 / 6
- Rotatable bonds
- 4
Identifiers
CAS number
74936-72-4SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)O)C1c1cccc([N+](=O)[O-])c1InChIKey
JPXPPUOCSLMCHK-UHFFFAOYSA-NInChI
InChI=1S/C16H16N2O6/c1-8-12(15(19)20)14(13(9(2)17-8)16(21)24-3)10-5-4-6-11(7-10)18(22)23/h4-7,14,17H,1-3H3,(H,19,20)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl ester
- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, monomethyl ester
- 2,6-Dimethyl-5-methoxycarbonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid
- (±)-1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid monomethyl ester
- (±)-1,4-Dihydro-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylic acid
Work with 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid monomethyl ester
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds