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

Systemtic Name: 2-(imidazol-1-ylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-(imidazol-1-ylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-(1-imidazolylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-(imidazol-1-ylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-(imidazol-1-ylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C18H16N4O6 MolecularWeight: 384.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CN2C=CN=C2)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)CN2C=CN=C2)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H16N4O6/c1-10-14(17(23)24)15(11-3-2-4-12(7-11)22(27)28)16(18(25)26)13(20-10)8-21-6-5-19-9-21/h2-7,9,15,20H,8H2,1H3,(H,23,24)(H,25,26)