3-methoxy-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 3-methoxy-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-methoxy-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 3-methoxy-4-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-methoxy-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethoxy]-3-methoxy-benzonitrile Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5/c1-28-19-12-15(13-21)2-7-18(19)29-14-20(25)23-10-8-22(9-11-23)16-3-5-17(6-4-16)24(26)27/h2-7,12H,8-11,14H2,1H3