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

Systemtic Name: ethyl 3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoate Openeye Name: ethyl 3-(2-nitro-4-sulfamoyl-anilino)propanoate CAS Name: 3-(2-nitro-4-sulfamoylanilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(2-nitro-4-sulfamoylanilino)propanoate Traditional Name: 3-(2-nitro-4-sulfamoyl-anilino)propionic acid ethyl ester Formula: C11H15N3O6S MolecularWeight: 317.3183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O6S/c1-2-20-11(15)5-6-13-9-4-3-8(21(12,18)19)7-10(9)14(16)17/h3-4,7,13H,2,5-6H2,1H3,(H2,12,18,19)