[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl] ester Formula: C17H16ClN3O8S MolecularWeight: 457.84224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O8S/c1-9-5-13(21(24)25)14(28-2)7-12(9)20-16(22)8-29-17(23)10-3-4-11(18)15(6-10)30(19,26)27/h3-7H,8H2,1-2H3,(H,20,22)(H2,19,26,27)