(4-chloranyl-3,5-dinitro-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4-chloranyl-3,5-dinitro-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (4-chloro-3,5-dinitro-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (4-chloro-3,5-dinitrophenyl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (4-chloro-3,5-dinitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (4-chloro-3,5-dinitro-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C15H13ClN6O5 MolecularWeight: 392.75392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN6O5/c16-13-11(21(24)25)8-10(9-12(13)22(26)27)14(23)19-4-6-20(7-5-19)15-17-2-1-3-18-15/h1-3,8-9H,4-7H2