2-[4-[(4-chloranyl-3-nitro-phenyl)methyl]piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-[(4-chloranyl-3-nitro-phenyl)methyl]piperazin-1-yl]pyrimidine Openeye Name: 2-[4-[(4-chloro-3-nitro-phenyl)methyl]piperazin-1-yl]pyrimidine CAS Name: 2-[4-[(4-chloro-3-nitrophenyl)methyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-[(4-chloro-3-nitrophenyl)methyl]piperazin-1-yl]pyrimidine Traditional Name: 2-[4-(4-chloro-3-nitro-benzyl)piperazino]pyrimidine Formula: C15H16ClN5O2 MolecularWeight: 333.77284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C15H16ClN5O2/c16-13-3-2-12(10-14(13)21(22)23)11-19-6-8-20(9-7-19)15-17-4-1-5-18-15/h1-5,10H,6-9,11H2