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

Systemtic Name: N-(5-bromanyl-2-oxidanyl-phenyl)-4-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-(5-bromo-2-hydroxy-phenyl)-4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-(5-bromo-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(5-bromo-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-(5-bromo-2-hydroxy-phenyl)-4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C14H14BrClN4O4 MolecularWeight: 417.64236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC2=C(C=CC(=C2)Br)O)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC2=C(C=CC(=C2)Br)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H14BrClN4O4/c1-8-13(16)14(20(23)24)18-19(8)6-2-3-12(22)17-10-7-9(15)4-5-11(10)21/h4-5,7,21H,2-3,6H2,1H3,(H,17,22)