O1-ethyl O3-[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(2-benzylanilino)-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: 3-O-[2-(2-benzylanilino)-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2-benzylanilino)-2-keto-ethyl] ester O1-ethyl ester Formula: C25H22N2O7 MolecularWeight: 462.45138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H22N2O7/c1-2-33-24(29)19-13-20(15-21(14-19)27(31)32)25(30)34-16-23(28)26-22-11-7-6-10-18(22)12-17-8-4-3-5-9-17/h3-11,13-15H,2,12,16H2,1H3,(H,26,28)