1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-(2-nitropyridin-3-yl)oxy-ethanone

Systemtic Name: 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-(2-nitropyridin-3-yl)oxy-ethanone Openeye Name: 1-[4-(m-tolylmethyl)piperazin-1-yl]-2-[(2-nitro-3-pyridyl)oxy]ethanone CAS Name: 1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-[(2-nitro-3-pyridinyl)oxy]ethanone IUPAC Name: 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-(2-nitropyridin-3-yl)oxyethanone Traditional Name: 1-[4-(3-methylbenzyl)piperazino]-2-[(2-nitro-3-pyridyl)oxy]ethanone Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4/c1-15-4-2-5-16(12-15)13-21-8-10-22(11-9-21)18(24)14-27-17-6-3-7-20-19(17)23(25)26/h2-7,12H,8-11,13-14H2,1H3