[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-methylsulfanylimidazol-1-yl)benzoate

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-methylsulfanylimidazol-1-yl)benzoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-(2-methylsulfanylimidazol-1-yl)benzoate CAS Name: 3-[2-(methylthio)-1-imidazolyl]benzoic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 3-(2-methylsulfanylimidazol-1-yl)benzoate Traditional Name: 3-[2-(methylthio)imidazol-1-yl]benzoic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H17ClN4O5S MolecularWeight: 460.89078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=CC(=CC=C2)N3C=CN=C3SC

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=CC(=CC=C2)N3C=CN=C3SC

InChI

InChI=1S/C20H17ClN4O5S/c1-12(18(26)23-17-7-6-15(25(28)29)11-16(17)21)30-19(27)13-4-3-5-14(10-13)24-9-8-22-20(24)31-2/h3-12H,1-2H3,(H,23,26)