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

Systemtic Name: N-(5-chloranyl-2-oxidanyl-phenyl)-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-(5-chloro-2-hydroxy-phenyl)-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-(5-chloro-2-hydroxyphenyl)-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(5-chloro-2-hydroxyphenyl)-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-(5-chloro-2-hydroxy-phenyl)-2-(4-nitropyrazol-1-yl)butyramide Formula: C13H13ClN4O4 MolecularWeight: 324.71972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN4O4/c1-2-11(17-7-9(6-15-17)18(21)22)13(20)16-10-5-8(14)3-4-12(10)19/h3-7,11,19H,2H2,1H3,(H,16,20)