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

Systemtic Name: 4-(4-chlorophenyl)-2-methyl-5-nitro-6-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(4-chlorophenyl)-2-methyl-5-nitro-6-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(4-chlorophenyl)-2-methyl-5-nitro-6-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(4-chlorophenyl)-2-methyl-5-nitro-6-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-(4-chlorophenyl)-2-methyl-5-nitro-6-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C17H13ClN2O4S MolecularWeight: 376.81412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C2=CC=CS2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C2=CC=CS2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C17H13ClN2O4S/c1-9-13(17(21)22)14(10-4-6-11(18)7-5-10)16(20(23)24)15(19-9)12-3-2-8-25-12/h2-8,14,19H,1H3,(H,21,22)