3-nitro-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 3-nitro-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]benzonitrile CAS Name: 3-nitro-4-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-nitro-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]benzonitrile Traditional Name: 3-nitro-4-[4-(2,3,4-trimethoxybenzyl)piperazino]benzonitrile Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H24N4O5/c1-28-19-7-5-16(20(29-2)21(19)30-3)14-23-8-10-24(11-9-23)17-6-4-15(13-22)12-18(17)25(26)27/h4-7,12H,8-11,14H2,1-3H3