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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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