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

Systemtic Name: 2-(hydroxymethyl)-6-(imidazol-1-ylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-(hydroxymethyl)-6-(imidazol-1-ylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-(hydroxymethyl)-6-(1-imidazolylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-(hydroxymethyl)-6-(imidazol-1-ylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-(imidazol-1-ylmethyl)-6-methylol-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C18H16N4O7 MolecularWeight: 400.34224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O7/c23-8-13-16(18(26)27)14(10-2-1-3-11(6-10)22(28)29)15(17(24)25)12(20-13)7-21-5-4-19-9-21/h1-6,9,14,20,23H,7-8H2,(H,24,25)(H,26,27)