N-(5-nitro-2-oxidanyl-phenyl)-2-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-(5-nitro-2-oxidanyl-phenyl)-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-(2-hydroxy-5-nitro-phenyl)-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-(2-hydroxy-5-nitrophenyl)-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(2-hydroxy-5-nitrophenyl)-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-(2-hydroxy-5-nitro-phenyl)-2-(4-nitropyrazol-1-yl)butyramide Formula: C13H13N5O6 MolecularWeight: 335.27222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])O)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])O)N2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O6/c1-2-11(16-7-9(6-14-16)18(23)24)13(20)15-10-5-8(17(21)22)3-4-12(10)19/h3-7,11,19H,2H2,1H3,(H,15,20)