ethyl 4-[(2-nitro-3-sulfamoyl-phenyl)amino]butanoate

Systemtic Name: ethyl 4-[(2-nitro-3-sulfamoyl-phenyl)amino]butanoate Openeye Name: ethyl 4-(2-nitro-3-sulfamoyl-anilino)butanoate CAS Name: 4-(2-nitro-3-sulfamoylanilino)butanoic acid ethyl ester IUPAC Name: ethyl 4-(2-nitro-3-sulfamoylanilino)butanoate Traditional Name: 4-(2-nitro-3-sulfamoyl-anilino)butyric acid ethyl ester Formula: C12H17N3O6S MolecularWeight: 331.34488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC1=C(C(=CC=C1)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCNC1=C(C(=CC=C1)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O6S/c1-2-21-11(16)7-4-8-14-9-5-3-6-10(22(13,19)20)12(9)15(17)18/h3,5-6,14H,2,4,7-8H2,1H3,(H2,13,19,20)