[4-[2-[5-[(4-fluorophenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] 4-nitrobenzoate

Systemtic Name: [4-[2-[5-[(4-fluorophenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] 4-nitrobenzoate Openeye Name: [4-[2-[5-(4-fluoroanilino)-5-oxo-pentanoyl]oxyacetyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[2-[5-(4-fluoroanilino)-1,5-dioxopentoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[5-(4-fluoroanilino)-5-oxopentanoyl]oxyacetyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[2-[5-(4-fluoroanilino)-5-keto-pentanoyl]oxyacetyl]phenyl] ester Formula: C26H21FN2O8 MolecularWeight: 508.451943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCCC(=O)NC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCCC(=O)NC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C26H21FN2O8/c27-19-8-10-20(11-9-19)28-24(31)2-1-3-25(32)36-16-23(30)17-6-14-22(15-7-17)37-26(33)18-4-12-21(13-5-18)29(34)35/h4-15H,1-3,16H2,(H,28,31)