4-(3-chlorophenyl)-2-methyl-6-(4-methylphenyl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)-2-methyl-6-(4-methylphenyl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(3-chlorophenyl)-2-methyl-5-nitro-6-(p-tolyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(3-chlorophenyl)-2-methyl-6-(4-methylphenyl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(3-chlorophenyl)-2-methyl-6-(4-methylphenyl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-(3-chlorophenyl)-2-methyl-5-nitro-6-(p-tolyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(C(=C(N2)C)C(=O)O)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(C(=C(N2)C)C(=O)O)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClN2O4/c1-11-6-8-13(9-7-11)18-19(23(26)27)17(14-4-3-5-15(21)10-14)16(20(24)25)12(2)22-18/h3-10,17,22H,1-2H3,(H,24,25)