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

Systemtic Name: 2-(1-imidazol-1-ylethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-(1-imidazol-1-ylethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-[1-(1-imidazolyl)ethyl]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-(1-imidazol-1-ylethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-(1-imidazol-1-ylethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C19H18N4O6 MolecularWeight: 398.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C(C)N2C=CN=C2)C(=O)O)C3=CC=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C(C)N2C=CN=C2)C(=O)O)C3=CC=CC=C3[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H18N4O6/c1-10-14(18(24)25)15(12-5-3-4-6-13(12)23(28)29)16(19(26)27)17(21-10)11(2)22-8-7-20-9-22/h3-9,11,15,21H,1-2H3,(H,24,25)(H,26,27)