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

Systemtic Name: [1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-benzamidobutanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-benzamidobutanoate CAS Name: 3-benzamidobutanoic acid [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 3-benzamidobutanoate Traditional Name: 3-benzamidobutyric acid [2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20FN3O6 MolecularWeight: 417.387703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O6/c1-12(22-20(27)14-6-4-3-5-7-14)10-18(25)30-13(2)19(26)23-15-8-9-16(21)17(11-15)24(28)29/h3-9,11-13H,10H2,1-2H3,(H,22,27)(H,23,26)