[2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H17FN2O5 MolecularWeight: 408.379183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C22H17FN2O5/c1-14-13-16(7-12-19(14)25(28)29)22(27)30-20(15-5-3-2-4-6-15)21(26)24-18-10-8-17(23)9-11-18/h2-13,20H,1H3,(H,24,26)