[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)benzoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate Traditional Name: 3-(2-thenoylamino)benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C21H17N3O6S MolecularWeight: 439.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H17N3O6S/c1-13(19(25)22-16-7-3-8-17(12-16)24(28)29)30-21(27)14-5-2-6-15(11-14)23-20(26)18-9-4-10-31-18/h2-13H,1H3,(H,22,25)(H,23,26)