2-(4,5-dimethoxy-2-nitro-phenyl)-2-(4-methylpiperazin-1-yl)ethanenitrile hydrochloride

Systemtic Name: 2-(4,5-dimethoxy-2-nitro-phenyl)-2-(4-methylpiperazin-1-yl)ethanenitrile hydrochloride Openeye Name: 2-(4,5-dimethoxy-2-nitro-phenyl)-2-(4-methylpiperazin-1-yl)acetonitrile hydrochloride CAS Name: 2-(4,5-dimethoxy-2-nitrophenyl)-2-(4-methyl-1-piperazinyl)acetonitrile hydrochloride IUPAC Name: 2-(4,5-dimethoxy-2-nitrophenyl)-2-(4-methylpiperazin-1-yl)acetonitrile hydrochloride Traditional Name: 2-(4,5-dimethoxy-2-nitro-phenyl)-2-(4-methylpiperazino)acetonitrile hydrochloride Formula: C15H21ClN4O4 MolecularWeight: 356.80464

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(C#N)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC.Cl

Isomeric SMILES

CN1CCN(CC1)C(C#N)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC.Cl

InChI

InChI=1S/C15H20N4O4.ClH/c1-17-4-6-18(7-5-17)13(10-16)11-8-14(22-2)15(23-3)9-12(11)19(20)21;/h8-9,13H,4-7H2,1-3H3;1H