N-(5-chloranyl-2-oxidanyl-phenyl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-(5-chloranyl-2-oxidanyl-phenyl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-(5-chloro-2-hydroxy-phenyl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-(5-chloro-2-hydroxyphenyl)-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(5-chloro-2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-(5-chloro-2-hydroxy-phenyl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C14H15ClN4O4 MolecularWeight: 338.7463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN4O4/c1-3-11(18-8(2)6-13(17-18)19(22)23)14(21)16-10-7-9(15)4-5-12(10)20/h4-7,11,20H,3H2,1-2H3,(H,16,21)