[2-(1,2-diphenylethylamino)-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [2-(1,2-diphenylethylamino)-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-(1,2-diphenylethylamino)-2-oxo-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [2-(1,2-diphenylethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-diphenylethylamino)-2-oxoethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-(1,2-diphenylethylamino)-2-keto-ethyl] ester Formula: C26H26N2O7 MolecularWeight: 478.49384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC(CC2=CC=CC=C2)C3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC(CC2=CC=CC=C2)C3=CC=CC=C3)OC

InChI

InChI=1S/C26H26N2O7/c1-3-34-24-16-22(28(31)32)20(15-23(24)33-2)26(30)35-17-25(29)27-21(19-12-8-5-9-13-19)14-18-10-6-4-7-11-18/h4-13,15-16,21H,3,14,17H2,1-2H3,(H,27,29)