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

Systemtic Name: N-(5-bromanyl-2-oxidanyl-phenyl)-4-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-(5-bromo-2-hydroxy-phenyl)-4-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-(5-bromo-2-hydroxyphenyl)-4-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(5-bromo-2-hydroxyphenyl)-4-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-(5-bromo-2-hydroxy-phenyl)-4-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C14H15BrN4O4 MolecularWeight: 383.1973

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN4O4/c1-9-7-13(19(22)23)17-18(9)6-2-3-14(21)16-11-8-10(15)4-5-12(11)20/h4-5,7-8,20H,2-3,6H2,1H3,(H,16,21)