[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(prop-2-enylsulfamoyl)benzoate

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(prop-2-enylsulfamoyl)benzoate Openeye Name: [2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl] 4-(allylsulfamoyl)benzoate CAS Name: 4-(prop-2-enylsulfamoyl)benzoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 4-(prop-2-enylsulfamoyl)benzoate Traditional Name: 4-(allylsulfamoyl)benzoic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C18H16ClN3O7S MolecularWeight: 453.85354

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C=CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN3O7S/c1-2-9-20-30(27,28)14-6-3-12(4-7-14)18(24)29-11-17(23)21-15-8-5-13(19)10-16(15)22(25)26/h2-8,10,20H,1,9,11H2,(H,21,23)