2-[(3-nitrophenyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(3-nitrophenyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(3-nitroanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(3-nitroanilino)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-nitroanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(3-nitroanilino)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C16H18N6O3 MolecularWeight: 342.35252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CNC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CNC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O3/c23-15(12-19-13-3-1-4-14(11-13)22(24)25)20-7-9-21(10-8-20)16-17-5-2-6-18-16/h1-6,11,19H,7-10,12H2