[4-[2-[5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] benzoate

Systemtic Name: [4-[2-[5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] benzoate Openeye Name: [4-[2-[5-(3-nitroanilino)-5-oxo-pentanoyl]oxyacetyl]phenyl] benzoate CAS Name: benzoic acid [4-[2-[5-(3-nitroanilino)-1,5-dioxopentoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[5-(3-nitroanilino)-5-oxopentanoyl]oxyacetyl]phenyl] benzoate Traditional Name: benzoic acid [4-[2-[5-keto-5-(3-nitroanilino)pentanoyl]oxyacetyl]phenyl] ester Formula: C26H22N2O8 MolecularWeight: 490.46148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N2O8/c29-23(18-12-14-22(15-13-18)36-26(32)19-6-2-1-3-7-19)17-35-25(31)11-5-10-24(30)27-20-8-4-9-21(16-20)28(33)34/h1-4,6-9,12-16H,5,10-11,17H2,(H,27,30)