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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NC(=O)CCCN2C(=C(C(=N2)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)O)NC(=O)CCCN2C(=C(C(=N2)[N+](=O)[O-])Br)C

InChI

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