[2-oxidanylidene-2-(4-phenylmethoxyphenyl)ethyl] 5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylmethoxyphenyl)ethyl] 5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-benzyloxyphenyl)-2-oxo-ethyl] 5-(3-nitroanilino)-5-oxo-pentanoate CAS Name: 5-(3-nitroanilino)-5-oxopentanoic acid [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 5-(3-nitroanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(3-nitroanilino)valeric acid [2-(4-benzoxyphenyl)-2-keto-ethyl] ester Formula: C26H24N2O7 MolecularWeight: 476.47796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)COC(=O)CCCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)COC(=O)CCCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H24N2O7/c29-24(20-12-14-23(15-13-20)34-17-19-6-2-1-3-7-19)18-35-26(31)11-5-10-25(30)27-21-8-4-9-22(16-21)28(32)33/h1-4,6-9,12-16H,5,10-11,17-18H2,(H,27,30)