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

Systemtic Name: 4-(2-chloranyl-4-fluoranyl-phenyl)-2-methyl-5-nitro-6-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(2-chloro-4-fluoro-phenyl)-2-methyl-5-nitro-6-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(2-chloro-4-fluorophenyl)-2-methyl-5-nitro-6-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(2-chloro-4-fluorophenyl)-2-methyl-5-nitro-6-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-(2-chloro-4-fluoro-phenyl)-2-methyl-5-nitro-6-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C17H12ClFN2O4S MolecularWeight: 394.804583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClFN2O4S/c1-8-13(17(22)23)14(10-5-4-9(19)7-11(10)18)16(21(24)25)15(20-8)12-3-2-6-26-12/h2-7,14,20H,1H3,(H,22,23)