[4-[2-[5-[(3-methoxyphenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] 4-nitrobenzoate

Systemtic Name: [4-[2-[5-[(3-methoxyphenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] 4-nitrobenzoate Openeye Name: [4-[2-[5-(3-methoxyanilino)-5-oxo-pentanoyl]oxyacetyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[2-[5-(3-methoxyanilino)-1,5-dioxopentoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[5-(3-methoxyanilino)-5-oxopentanoyl]oxyacetyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[2-[5-keto-5-(m-anisidino)pentanoyl]oxyacetyl]phenyl] ester Formula: C27H24N2O9 MolecularWeight: 520.48746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H24N2O9/c1-36-23-5-2-4-20(16-23)28-25(31)6-3-7-26(32)37-17-24(30)18-10-14-22(15-11-18)38-27(33)19-8-12-21(13-9-19)29(34)35/h2,4-5,8-16H,3,6-7,17H2,1H3,(H,28,31)