2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(5-nitro-2-oxidanyl-phenyl)butanamide

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(5-nitro-2-oxidanyl-phenyl)butanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(2-hydroxy-5-nitro-phenyl)butanamide CAS Name: 2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-(2-hydroxy-5-nitrophenyl)butanamide IUPAC Name: 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-5-nitrophenyl)butanamide Traditional Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(2-hydroxy-5-nitro-phenyl)butyramide Formula: C15H17ClN4O4 MolecularWeight: 352.77288

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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)C)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN4O4/c1-4-12(19-9(3)14(16)8(2)18-19)15(22)17-11-7-10(20(23)24)5-6-13(11)21/h5-7,12,21H,4H2,1-3H3,(H,17,22)