[1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-nitrobenzoate

Systemtic Name: [1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-nitrobenzoate Openeye Name: [2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-(4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(4-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H13FN2O5 MolecularWeight: 332.283223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13FN2O5/c1-10(15(20)18-13-6-4-12(17)5-7-13)24-16(21)11-2-8-14(9-3-11)19(22)23/h2-10H,1H3,(H,18,20)