1-[4-(3-methyl-4-nitro-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 1-[4-(3-methyl-4-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(3-methyl-4-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(3-methyl-4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 1-[4-(3-methyl-4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(3-methyl-4-nitro-phenyl)piperazino]ethanone Formula: C13H17N3O3 MolecularWeight: 263.29238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O3/c1-10-9-12(3-4-13(10)16(18)19)15-7-5-14(6-8-15)11(2)17/h3-4,9H,5-8H2,1-2H3