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

Systemtic Name: 4-[4-(2-methylpropanoyl)piperazin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-(2-methylpropanoyl)piperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-(2-methylpropanoyl)piperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-(4-isobutyrylpiperazino)-3-nitro-benzonitrile Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O3/c1-11(2)15(20)18-7-5-17(6-8-18)13-4-3-12(10-16)9-14(13)19(21)22/h3-4,9,11H,5-8H2,1-2H3