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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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