4-[4-(2-methylphenyl)piperazin-1-yl]-3-nitro-benzamide

Systemtic Name: 4-[4-(2-methylphenyl)piperazin-1-yl]-3-nitro-benzamide Openeye Name: 3-nitro-4-[4-(o-tolyl)piperazin-1-yl]benzamide CAS Name: 4-[4-(2-methylphenyl)-1-piperazinyl]-3-nitrobenzamide IUPAC Name: 4-[4-(2-methylphenyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: 3-nitro-4-[4-(o-tolyl)piperazino]benzamide Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O3/c1-13-4-2-3-5-15(13)20-8-10-21(11-9-20)16-7-6-14(18(19)23)12-17(16)22(24)25/h2-7,12H,8-11H2,1H3,(H2,19,23)