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

Systemtic Name: N-(5-bromanyl-2-oxidanyl-phenyl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanamide Openeye Name: N-(5-bromo-2-hydroxy-phenyl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanamide CAS Name: N-(5-bromo-2-hydroxyphenyl)-4-(3,5-dimethyl-4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(5-bromo-2-hydroxyphenyl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide Traditional Name: N-(5-bromo-2-hydroxy-phenyl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyramide Formula: C15H17BrN4O4 MolecularWeight: 397.22388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN4O4/c1-9-15(20(23)24)10(2)19(18-9)7-3-4-14(22)17-12-8-11(16)5-6-13(12)21/h5-6,8,21H,3-4,7H2,1-2H3,(H,17,22)