[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-(2-ethoxyanilino)-2-oxo-1-phenyl-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-keto-2-(o-phenetidino)-1-phenyl-ethyl] ester Formula: C26H26N2O8 MolecularWeight: 494.49324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OCC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OCC

InChI

InChI=1S/C26H26N2O8/c1-4-34-21-14-10-9-13-19(21)27-25(29)24(17-11-7-6-8-12-17)36-26(30)18-15-23(35-5-2)22(33-3)16-20(18)28(31)32/h6-16,24H,4-5H2,1-3H3,(H,27,29)