[(2R)-1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 5-nitrothiophene-2-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-phenoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(4-phenoxyanilino)ethyl] ester Formula: C20H16N2O6S MolecularWeight: 412.41584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O6S/c1-13(27-20(24)17-11-12-18(29-17)22(25)26)19(23)21-14-7-9-16(10-8-14)28-15-5-3-2-4-6-15/h2-13H,1H3,(H,21,23)/t13-/m1/s1