[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-(4-isopropoxycarbonylanilino)-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[4-[oxo(propan-2-yloxy)methyl]anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-(4-isopropoxycarbonylanilino)-2-keto-ethyl] ester Formula: C17H16N2O7S MolecularWeight: 392.38314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O7S/c1-10(2)26-16(21)11-3-5-12(6-4-11)18-14(20)9-25-17(22)13-7-8-15(27-13)19(23)24/h3-8,10H,9H2,1-2H3,(H,18,20)