4-[1-[1-(2-nitrophenyl)-1-oxidanylidene-propan-2-yl]-3-phenyl-piperidin-4-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[1-[1-(2-nitrophenyl)-1-oxidanylidene-propan-2-yl]-3-phenyl-piperidin-4-yl]oxybenzenecarbonitrile Openeye Name: 4-[[1-[1-methyl-2-(2-nitrophenyl)-2-oxo-ethyl]-3-phenyl-4-piperidyl]oxy]benzonitrile CAS Name: 4-[[1-[1-(2-nitrophenyl)-1-oxopropan-2-yl]-3-phenyl-4-piperidinyl]oxy]benzonitrile IUPAC Name: 4-[1-[1-(2-nitrophenyl)-1-oxopropan-2-yl]-3-phenylpiperidin-4-yl]oxybenzonitrile Traditional Name: 4-[[1-[2-keto-1-methyl-2-(2-nitrophenyl)ethyl]-3-phenyl-4-piperidyl]oxy]benzonitrile Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1[N+](=O)[O-])N2CCC(C(C2)C3=CC=CC=C3)OC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1[N+](=O)[O-])N2CCC(C(C2)C3=CC=CC=C3)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H25N3O4/c1-19(27(31)23-9-5-6-10-25(23)30(32)33)29-16-15-26(24(18-29)21-7-3-2-4-8-21)34-22-13-11-20(17-28)12-14-22/h2-14,19,24,26H,15-16,18H2,1H3