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

Systemtic Name: 1-[3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone Openeye Name: 1-[3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone CAS Name: 1-[3-nitro-4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone Traditional Name: 1-[3-nitro-4-[4-(2-pyrimidyl)piperazino]phenyl]ethanone Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O3/c1-12(22)13-3-4-14(15(11-13)21(23)24)19-7-9-20(10-8-19)16-17-5-2-6-18-16/h2-6,11H,7-10H2,1H3