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

Systemtic Name: 2-methyl-4-(3-nitrophenyl)-6-(pyridin-3-yloxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-methyl-4-(3-nitrophenyl)-6-(3-pyridyloxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-methyl-4-(3-nitrophenyl)-6-(3-pyridinyloxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-methyl-4-(3-nitrophenyl)-6-(pyridin-3-yloxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-methyl-4-(3-nitrophenyl)-6-(3-pyridyloxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)COC2=CN=CC=C2)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)COC2=CN=CC=C2)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H17N3O7/c1-11-16(19(24)25)17(12-4-2-5-13(8-12)23(28)29)18(20(26)27)15(22-11)10-30-14-6-3-7-21-9-14/h2-9,17,22H,10H2,1H3,(H,24,25)(H,26,27)