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

Systemtic Name: 2-methyl-4-(3-nitrophenyl)-6-(pyridin-3-ylcarbonyloxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-methyl-4-(3-nitrophenyl)-6-(pyridine-3-carbonyloxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-methyl-4-(3-nitrophenyl)-6-[[oxo(3-pyridinyl)methoxy]methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-methyl-4-(3-nitrophenyl)-6-(pyridine-3-carbonyloxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-methyl-6-(nicotinoyloxymethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C21H17N3O8 MolecularWeight: 439.37498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)COC(=O)C2=CN=CC=C2)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)COC(=O)C2=CN=CC=C2)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H17N3O8/c1-11-16(19(25)26)17(12-4-2-6-14(8-12)24(30)31)18(20(27)28)15(23-11)10-32-21(29)13-5-3-7-22-9-13/h2-9,17,23H,10H2,1H3,(H,25,26)(H,27,28)