[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-chlorophenyl)sulfanylethanoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-chlorophenyl)sulfanylethanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-(4-chlorophenyl)sulfanylacetate CAS Name: 2-[(4-chlorophenyl)thio]acetic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)sulfanylacetate Traditional Name: 2-[(4-chlorophenyl)thio]acetic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C17H15ClN2O5S MolecularWeight: 394.8294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H15ClN2O5S/c1-11(17(22)19-13-3-2-4-14(9-13)20(23)24)25-16(21)10-26-15-7-5-12(18)6-8-15/h2-9,11H,10H2,1H3,(H,19,22)