2-cyano-6-(imidazol-1-ylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-cyano-6-(imidazol-1-ylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-cyano-6-(imidazol-1-ylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-cyano-6-(1-imidazolylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-cyano-6-(imidazol-1-ylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-cyano-6-(imidazol-1-ylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C18H13N5O6 MolecularWeight: 395.32572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(=C(NC(=C2C(=O)O)C#N)CN3C=CN=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(=C(NC(=C2C(=O)O)C#N)CN3C=CN=C3)C(=O)O

InChI

InChI=1S/C18H13N5O6/c19-7-12-15(17(24)25)14(10-2-1-3-11(6-10)23(28)29)16(18(26)27)13(21-12)8-22-5-4-20-9-22/h1-6,9,14,21H,8H2,(H,24,25)(H,26,27)