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

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] 3-(2-nitro-4-sulfamoyl-anilino)propanoate CAS Name: 3-(2-nitro-4-sulfamoylanilino)propanoic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] 3-(2-nitro-4-sulfamoylanilino)propanoate Traditional Name: 3-(2-nitro-4-sulfamoyl-anilino)propionic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C17H17FN4O7S MolecularWeight: 440.402883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)COC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)COC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])F

InChI

InChI=1S/C17H17FN4O7S/c18-11-1-3-12(4-2-11)21-16(23)10-29-17(24)7-8-20-14-6-5-13(30(19,27)28)9-15(14)22(25)26/h1-6,9,20H,7-8,10H2,(H,21,23)(H2,19,27,28)