[2-(2,2-diphenylethylamino)-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-(2,2-diphenylethylamino)-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-(2,2-diphenylethylamino)-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-(2,2-diphenylethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,2-diphenylethylamino)-2-oxoethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-(2,2-diphenylethylamino)-2-keto-ethyl] ester Formula: C25H25N3O6 MolecularWeight: 463.4825

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)C3=CC=CC=C3

InChI

InChI=1S/C25H25N3O6/c29-14-13-26-23-12-11-20(28(32)33)15-21(23)25(31)34-17-24(30)27-16-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,15,22,26,29H,13-14,16-17H2,(H,27,30)