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

Systemtic Name: 2-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 5-nitro-2-(4-p-anisoylpiperazino)benzonitrile Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4/c1-27-17-5-2-14(3-6-17)19(24)22-10-8-21(9-11-22)18-7-4-16(23(25)26)12-15(18)13-20/h2-7,12H,8-11H2,1H3