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

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H14ClFN2O5 MolecularWeight: 428.797663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)F)OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)F)OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H14ClFN2O5/c22-14-6-11-17(18(12-14)25(28)29)21(27)30-19(13-4-2-1-3-5-13)20(26)24-16-9-7-15(23)8-10-16/h1-12,19H,(H,24,26)