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

Systemtic Name: 3-ethoxy-4-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-ethoxy-4-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 3-ethoxy-4-[2-[4-(2-nitrophenyl)-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-ethoxy-4-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 3-ethoxy-4-[2-keto-2-[4-(2-nitrophenyl)piperazino]ethoxy]benzonitrile Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5/c1-2-29-20-13-16(14-22)7-8-19(20)30-15-21(26)24-11-9-23(10-12-24)17-5-3-4-6-18(17)25(27)28/h3-8,13H,2,9-12,15H2,1H3