(E)-3-(2-ethoxyphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(2-ethoxyphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(2-ethoxyphenyl)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-(2-ethoxyphenyl)-2-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(2-ethoxyphenyl)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-o-phenetyl-acrylonitrile Formula: C22H22N4O4 MolecularWeight: 406.43448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=C(C#N)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O4/c1-2-30-21-6-4-3-5-17(21)15-18(16-23)22(27)25-13-11-24(12-14-25)19-7-9-20(10-8-19)26(28)29/h3-10,15H,2,11-14H2,1H3/b18-15+