2-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(4-methoxyphenyl)piperazino]-5-nitro-benzonitrile Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3/c1-25-17-5-2-15(3-6-17)20-8-10-21(11-9-20)18-7-4-16(22(23)24)12-14(18)13-19/h2-7,12H,8-11H2,1H3