[(1R)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [(1R)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [(1R)-2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C19H13FN2O5S MolecularWeight: 400.380323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)F)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)NC2=CC=C(C=C2)F)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C19H13FN2O5S/c20-13-6-8-14(9-7-13)21-18(23)17(12-4-2-1-3-5-12)27-19(24)15-10-11-16(28-15)22(25)26/h1-11,17H,(H,21,23)/t17-/m1/s1