2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(3-methoxyphenyl)-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(3-methoxyphenyl)piperazino]-5-nitro-benzonitrile Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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