[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-nitro-4-piperidin-1-yl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O5/c1-17(18-8-4-2-5-9-18)15-24-22(27)16-31-23(28)19-10-11-20(21(14-19)26(29)30)25-12-6-3-7-13-25/h2,4-5,8-11,14,17H,3,6-7,12-13,15-16H2,1H3,(H,24,27)/t17-/m1/s1