2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 5-nitro-2-(4-veratroylpiperazino)benzonitrile Formula: C20H20N4O5 MolecularWeight: 396.3966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O5/c1-28-18-6-3-14(12-19(18)29-2)20(25)23-9-7-22(8-10-23)17-5-4-16(24(26)27)11-15(17)13-21/h3-6,11-12H,7-10H2,1-2H3