[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl)C

InChI

InChI=1S/C18H17ClN2O5S/c1-10-4-7-15(21(24)25)17(11(10)2)20-16(22)9-26-18(23)13-8-12(27-3)5-6-14(13)19/h4-8H,9H2,1-3H3,(H,20,22)