[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C16H14ClN3O7S MolecularWeight: 427.81626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O7S/c1-9-12(3-2-4-13(9)20(23)24)19-15(21)8-27-16(22)10-5-6-11(17)14(7-10)28(18,25)26/h2-7H,8H2,1H3,(H,19,21)(H2,18,25,26)