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

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NCCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NCCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5/c27-22(24-13-7-10-18-8-3-1-4-9-18)17-31-23(28)19-11-12-20(21(16-19)26(29)30)25-14-5-2-6-15-25/h1,3-4,8-9,11-12,16H,2,5-7,10,13-15,17H2,(H,24,27)