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

Systemtic Name: (E)-2-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-3-(2-nitrophenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-(2-nitrophenyl)prop-2-enenitrile CAS Name: (E)-2-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]-3-(2-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-(2-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-(2-nitrophenyl)acrylonitrile Formula: C21H20N4O4 MolecularWeight: 392.4079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(=CC3=CC=CC=C3[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4/c1-29-19-8-6-18(7-9-19)23-10-12-24(13-11-23)21(26)17(15-22)14-16-4-2-3-5-20(16)25(27)28/h2-9,14H,10-13H2,1H3/b17-14+