N-butyl-5-nitro-N-(5-nitropyridin-2-yl)-2-oxidanyl-benzamide

Systemtic Name: N-butyl-5-nitro-N-(5-nitropyridin-2-yl)-2-oxidanyl-benzamide Openeye Name: N-butyl-2-hydroxy-5-nitro-N-(5-nitro-2-pyridyl)benzamide CAS Name: N-butyl-2-hydroxy-5-nitro-N-(5-nitro-2-pyridinyl)benzamide IUPAC Name: N-butyl-2-hydroxy-5-nitro-N-(5-nitropyridin-2-yl)benzamide Traditional Name: N-butyl-2-hydroxy-5-nitro-N-(5-nitro-2-pyridyl)benzamide Formula: C16H16N4O6 MolecularWeight: 360.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=NC=C(C=C1)[N+](=O)[O-])C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CCCCN(C1=NC=C(C=C1)[N+](=O)[O-])C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H16N4O6/c1-2-3-8-18(15-7-5-12(10-17-15)20(25)26)16(22)13-9-11(19(23)24)4-6-14(13)21/h4-7,9-10,21H,2-3,8H2,1H3