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

Systemtic Name: [1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-benzamidopropanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic acid [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 2-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H18FN3O6 MolecularWeight: 403.361123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN3O6/c1-11(21-18(25)13-6-4-3-5-7-13)19(26)29-12(2)17(24)22-14-8-9-15(20)16(10-14)23(27)28/h3-12H,1-2H3,(H,21,25)(H,22,24)