6-(1H-imidazol-2-ylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2,3,5-tricarboxylic acid

Systemtic Name: 6-(1H-imidazol-2-ylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2,3,5-tricarboxylic acid Openeye Name: 6-(1H-imidazol-2-ylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2,3,5-tricarboxylic acid CAS Name: 6-(1H-imidazol-2-ylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2,3,5-tricarboxylic acid IUPAC Name: 6-(1H-imidazol-2-ylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2,3,5-tricarboxylic acid Traditional Name: 6-(1H-imidazol-2-ylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2,3,5-tricarboxylic acid Formula: C18H14N4O8 MolecularWeight: 414.32576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(=C(NC(=C2C(=O)O)C(=O)O)CC3=NC=CN3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(=C(NC(=C2C(=O)O)C(=O)O)CC3=NC=CN3)C(=O)O

InChI

InChI=1S/C18H14N4O8/c23-16(24)13-10(7-11-19-4-5-20-11)21-15(18(27)28)14(17(25)26)12(13)8-2-1-3-9(6-8)22(29)30/h1-6,12,21H,7H2,(H,19,20)(H,23,24)(H,25,26)(H,27,28)