[2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H16FN3O5 MolecularWeight: 409.367243

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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=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C21H16FN3O5/c22-14-6-8-15(9-7-14)24-20(26)19(13-4-2-1-3-5-13)30-21(27)17-12-16(25(28)29)10-11-18(17)23/h1-12,19H,23H2,(H,24,26)