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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

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