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

Systemtic Name: (5-bromanyl-2-oxidanyl-phenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: (5-bromo-2-hydroxy-phenyl)-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: (5-bromo-2-hydroxyphenyl)-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: (5-bromo-2-hydroxyphenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: (5-bromo-2-hydroxy-phenyl)-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C16H15BrN4O4 MolecularWeight: 407.2187

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN4O4/c17-11-1-3-14(22)13(9-11)16(23)20-7-5-19(6-8-20)12-2-4-15(18-10-12)21(24)25/h1-4,9-10,22H,5-8H2