1-[3-(4-methylpiperazin-1-yl)phenyl]-2-nitro-ethanone

Systemtic Name: 1-[3-(4-methylpiperazin-1-yl)phenyl]-2-nitro-ethanone Openeye Name: 1-[3-(4-methylpiperazin-1-yl)phenyl]-2-nitro-ethanone CAS Name: 1-[3-(4-methyl-1-piperazinyl)phenyl]-2-nitroethanone IUPAC Name: 1-[3-(4-methylpiperazin-1-yl)phenyl]-2-nitroethanone Traditional Name: 1-[3-(4-methylpiperazino)phenyl]-2-nitro-ethanone Formula: C13H17N3O3 MolecularWeight: 263.29238

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC(=C2)C(=O)C[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC(=C2)C(=O)C[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O3/c1-14-5-7-15(8-6-14)12-4-2-3-11(9-12)13(17)10-16(18)19/h2-4,9H,5-8,10H2,1H3