[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanylethanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanylethanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 2-(4-chlorophenyl)sulfanylacetate CAS Name: 2-[(4-chlorophenyl)thio]acetic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate Traditional Name: 2-[(4-chlorophenyl)thio]acetic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C16H13ClN2O5S MolecularWeight: 380.80282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H13ClN2O5S/c17-11-4-6-14(7-5-11)25-10-16(21)24-9-15(20)18-12-2-1-3-13(8-12)19(22)23/h1-8H,9-10H2,(H,18,20)