[2-oxidanylidene-2-(4-phenylphenyl)ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-oxo-2-(4-phenylphenyl)ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-oxo-2-(4-phenylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-keto-2-(4-phenylphenyl)ethyl] ester Formula: C26H24N2O5 MolecularWeight: 444.47916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H24N2O5/c29-25(21-11-9-20(10-12-21)19-7-3-1-4-8-19)18-33-26(30)22-13-14-23(24(17-22)28(31)32)27-15-5-2-6-16-27/h1,3-4,7-14,17H,2,5-6,15-16,18H2