(2R,4R)-4-[3-(2-nitrophenyl)-2-oxidanylidene-propyl]-1-(2-phenylmethoxyethyl)piperidine-2-carbonitrile

Systemtic Name: (2R,4R)-4-[3-(2-nitrophenyl)-2-oxidanylidene-propyl]-1-(2-phenylmethoxyethyl)piperidine-2-carbonitrile Openeye Name: (2R,4R)-1-(2-benzyloxyethyl)-4-[3-(2-nitrophenyl)-2-oxo-propyl]piperidine-2-carbonitrile CAS Name: (2R,4R)-4-[3-(2-nitrophenyl)-2-oxopropyl]-1-(2-phenylmethoxyethyl)-2-piperidinecarbonitrile IUPAC Name: (2R,4R)-4-[3-(2-nitrophenyl)-2-oxopropyl]-1-(2-phenylmethoxyethyl)piperidine-2-carbonitrile Traditional Name: (2R,4R)-1-(2-benzoxyethyl)-4-[2-keto-3-(2-nitrophenyl)propyl]pipecolinonitrile Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1CC(=O)CC2=CC=CC=C2[N+](=O)[O-])C#N)CCOCC3=CC=CC=C3

Isomeric SMILES

C1CN([C@H](C[C@@H]1CC(=O)CC2=CC=CC=C2[N+](=O)[O-])C#N)CCOCC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4/c25-17-22-14-20(15-23(28)16-21-8-4-5-9-24(21)27(29)30)10-11-26(22)12-13-31-18-19-6-2-1-3-7-19/h1-9,20,22H,10-16,18H2/t20-,22-/m1/s1