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

Systemtic Name: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-(4-phenylphenyl)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-oxo-2-(4-phenylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-keto-2-(4-phenylphenyl)ethyl] ester Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)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(C1)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/C25H22N2O5/c28-24(20-10-8-19(9-11-20)18-6-2-1-3-7-18)17-32-25(29)21-12-13-22(23(16-21)27(30)31)26-14-4-5-15-26/h1-3,6-13,16H,4-5,14-15,17H2