[(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitrothiophene-2-carboxylate Openeye Name: [(1R)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [(1R)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H14N2O6S MolecularWeight: 362.35716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O6S/c1-9(19)11-4-3-5-12(8-11)17-15(20)10(2)24-16(21)13-6-7-14(25-13)18(22)23/h3-8,10H,1-2H3,(H,17,20)/t10-/m1/s1