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

Systemtic Name: [4-[2-[5-[(4-ethoxyphenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] 4-nitrobenzoate Openeye Name: [4-[2-[5-(4-ethoxyanilino)-5-oxo-pentanoyl]oxyacetyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[2-[5-(4-ethoxyanilino)-1,5-dioxopentoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[5-(4-ethoxyanilino)-5-oxopentanoyl]oxyacetyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[2-[5-keto-5-(p-phenetidino)pentanoyl]oxyacetyl]phenyl] ester Formula: C28H26N2O9 MolecularWeight: 534.51404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=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/C28H26N2O9/c1-2-37-23-16-10-21(11-17-23)29-26(32)4-3-5-27(33)38-18-25(31)19-8-14-24(15-9-19)39-28(34)20-6-12-22(13-7-20)30(35)36/h6-17H,2-5,18H2,1H3,(H,29,32)