2-methyl-4-(3-nitrophenyl)-6-(2-oxidanylideneethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-methyl-4-(3-nitrophenyl)-6-(2-oxidanylideneethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-methyl-4-(3-nitrophenyl)-6-(2-oxoethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-methyl-4-(3-nitrophenyl)-6-(2-oxoethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-methyl-4-(3-nitrophenyl)-6-(2-oxoethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-(2-ketoethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C16H14N2O7 MolecularWeight: 346.29156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CC=O)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)CC=O)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H14N2O7/c1-8-12(15(20)21)13(9-3-2-4-10(7-9)18(24)25)14(16(22)23)11(17-8)5-6-19/h2-4,6-7,13,17H,5H2,1H3,(H,20,21)(H,22,23)