[2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-keto-ethyl] ester Formula: C21H14Cl2N2O5S MolecularWeight: 477.31726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H14Cl2N2O5S/c22-13-5-8-15(9-6-13)31-19-4-2-1-3-18(19)24-20(26)12-30-21(27)16-11-14(25(28)29)7-10-17(16)23/h1-11H,12H2,(H,24,26)