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

Systemtic Name: 4-(3-nitrophenyl)-2,6-bis(pyridin-3-ylmethoxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(3-nitrophenyl)-2,6-bis(3-pyridylmethoxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(3-nitrophenyl)-2,6-bis(3-pyridinylmethoxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(3-nitrophenyl)-2,6-bis(pyridin-3-ylmethoxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(3-nitrophenyl)-2,6-bis(3-pyridylmethoxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C27H24N4O8 MolecularWeight: 532.50146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(=C(NC(=C2C(=O)O)COCC3=CN=CC=C3)COCC4=CN=CC=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(=C(NC(=C2C(=O)O)COCC3=CN=CC=C3)COCC4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C27H24N4O8/c32-26(33)24-21(15-38-13-17-4-2-8-28-11-17)30-22(16-39-14-18-5-3-9-29-12-18)25(27(34)35)23(24)19-6-1-7-20(10-19)31(36)37/h1-12,23,30H,13-16H2,(H,32,33)(H,34,35)