(5-bromanyl-2-chloranyl-phenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone

Systemtic Name: (5-bromanyl-2-chloranyl-phenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: (5-bromo-2-chloro-phenyl)-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: (5-bromo-2-chlorophenyl)-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: (5-bromo-2-chlorophenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: (5-bromo-2-chloro-phenyl)-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C16H14BrClN4O3 MolecularWeight: 425.66436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3)Br)Cl

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3)Br)Cl

InChI

InChI=1S/C16H14BrClN4O3/c17-11-1-3-14(18)13(9-11)16(23)21-7-5-20(6-8-21)12-2-4-15(19-10-12)22(24)25/h1-4,9-10H,5-8H2