[2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[(phenylmethyl)amino]butanoate

Systemtic Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[(phenylmethyl)amino]butanoate Openeye Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxo-ethyl] 4-(benzylamino)-4-oxo-butanoate CAS Name: 4-oxo-4-[(phenylmethyl)amino]butanoic acid [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] 4-(benzylamino)-4-oxobutanoate Traditional Name: 4-(benzylamino)-4-keto-butyric acid [2-keto-2-[4-(4-nitrophenoxy)phenyl]ethyl] ester Formula: C25H22N2O7 MolecularWeight: 462.45138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H22N2O7/c28-23(17-33-25(30)15-14-24(29)26-16-18-4-2-1-3-5-18)19-6-10-21(11-7-19)34-22-12-8-20(9-13-22)27(31)32/h1-13H,14-17H2,(H,26,29)