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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCC(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCC(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O5/c29-24(27-14-10-20(11-15-27)16-19-6-2-1-3-7-19)18-33-25(30)21-8-9-22(23(17-21)28(31)32)26-12-4-5-13-26/h1-3,6-9,17,20H,4-5,10-16,18H2