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

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-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)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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