3-nitro-4-[4-(phenylcarbonyl)piperazin-1-yl]benzamide

Systemtic Name: 3-nitro-4-[4-(phenylcarbonyl)piperazin-1-yl]benzamide Openeye Name: 4-(4-benzoylpiperazin-1-yl)-3-nitro-benzamide CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: 4-(4-benzoylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: 4-(4-benzoylpiperazino)-3-nitro-benzamide Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O4/c19-17(23)14-6-7-15(16(12-14)22(25)26)20-8-10-21(11-9-20)18(24)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H2,19,23)