[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-sulfamoylthiophene-3-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-sulfamoylthiophene-3-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 5-sulfamoylthiophene-3-carboxylate CAS Name: 5-sulfamoyl-3-thiophenecarboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate Traditional Name: 5-sulfamoylthiophene-3-carboxylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C14H13N3O7S2 MolecularWeight: 399.39892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O7S2/c1-8(13(18)16-10-3-2-4-11(6-10)17(20)21)24-14(19)9-5-12(25-7-9)26(15,22)23/h2-8H,1H3,(H,16,18)(H2,15,22,23)