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

Systemtic Name: 4-[4-(3-methoxyphenyl)piperazin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-(3-methoxyphenyl)piperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-(3-methoxyphenyl)-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-(3-methoxyphenyl)piperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-(3-methoxyphenyl)piperazino]-3-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)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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