1-[5-(4-methylpiperazin-1-yl)-2-nitro-phenyl]ethanone

Systemtic Name: 1-[5-(4-methylpiperazin-1-yl)-2-nitro-phenyl]ethanone Openeye Name: 1-[5-(4-methylpiperazin-1-yl)-2-nitro-phenyl]ethanone CAS Name: 1-[5-(4-methyl-1-piperazinyl)-2-nitrophenyl]ethanone IUPAC Name: 1-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]ethanone Traditional Name: 1-[5-(4-methylpiperazino)-2-nitro-phenyl]ethanone Formula: C13H17N3O3 MolecularWeight: 263.29238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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