[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C16H13ClN2O5S MolecularWeight: 380.80282

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN2O5S/c1-25-12-6-7-14(17)13(8-12)16(21)24-9-15(20)18-10-2-4-11(5-3-10)19(22)23/h2-8H,9H2,1H3,(H,18,20)