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

Systemtic Name: 2-methyl-4-(3-nitrophenyl)-6-(pyridin-3-ylmethoxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-methyl-4-(3-nitrophenyl)-6-(3-pyridylmethoxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-methyl-4-(3-nitrophenyl)-6-(3-pyridinylmethoxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-methyl-4-(3-nitrophenyl)-6-(pyridin-3-ylmethoxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-methyl-4-(3-nitrophenyl)-6-(3-pyridylmethoxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C21H19N3O7 MolecularWeight: 425.39146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)COCC2=CN=CC=C2)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)COCC2=CN=CC=C2)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H19N3O7/c1-12-17(20(25)26)18(14-5-2-6-15(8-14)24(29)30)19(21(27)28)16(23-12)11-31-10-13-4-3-7-22-9-13/h2-9,18,23H,10-11H2,1H3,(H,25,26)(H,27,28)