[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate CAS Name: 5-(4-fluorophenyl)-2-thiophenecarboxylic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate Traditional Name: 5-(4-fluorophenyl)thiophene-2-carboxylic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C20H15FN2O6S MolecularWeight: 430.406303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(S2)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(S2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H15FN2O6S/c1-28-16-10-14(23(26)27)6-7-15(16)22-19(24)11-29-20(25)18-9-8-17(30-18)12-2-4-13(21)5-3-12/h2-10H,11H2,1H3,(H,22,24)