4-[(2R)-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[(2R)-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[(1R)-1-methyl-2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 4-[(2R)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 4-[(2R)-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 4-[(1R)-2-keto-1-methyl-2-[4-(4-nitrophenyl)piperazino]ethoxy]benzonitrile Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H20N4O4/c1-15(28-19-8-2-16(14-21)3-9-19)20(25)23-12-10-22(11-13-23)17-4-6-18(7-5-17)24(26)27/h2-9,15H,10-13H2,1H3/t15-/m1/s1