[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(cyclopropylsulfamoyl)-4-methoxybenzoic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(cyclopropylsulfamoyl)-4-methoxy-benzoic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C19H18ClN3O8S MolecularWeight: 483.87952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)NC3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)NC3CC3

InChI

InChI=1S/C19H18ClN3O8S/c1-30-16-7-2-11(8-17(16)32(28,29)22-12-3-4-12)19(25)31-10-18(24)21-15-6-5-13(23(26)27)9-14(15)20/h2,5-9,12,22H,3-4,10H2,1H3,(H,21,24)