(E)-2-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-3-(4-methyl-3-nitro-phenyl)prop-2-enenitrile

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C(C#N)C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

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