[1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-sulfamoylphenyl)propanoate

Systemtic Name: [1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-sulfamoylphenyl)propanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-(4-sulfamoylphenyl)propanoate CAS Name: 3-(4-sulfamoylphenyl)propanoic acid [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 3-(4-sulfamoylphenyl)propanoate Traditional Name: 3-(4-sulfamoylphenyl)propionic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18FN3O7S MolecularWeight: 439.414823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C18H18FN3O7S/c1-11(18(24)21-13-5-8-15(19)16(10-13)22(25)26)29-17(23)9-4-12-2-6-14(7-3-12)30(20,27)28/h2-3,5-8,10-11H,4,9H2,1H3,(H,21,24)(H2,20,27,28)