4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(4-methylphenyl)butanamide

Systemtic Name: 4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(4-methylphenyl)butanamide Openeye Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(p-tolyl)butanamide CAS Name: 4-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-(4-methylphenyl)butanamide IUPAC Name: 4-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(4-methylphenyl)butanamide Traditional Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(p-tolyl)butyramide Formula: C15H17BrN4O3 MolecularWeight: 381.22448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN4O3/c1-10-5-7-12(8-6-10)17-13(21)4-3-9-19-11(2)14(16)15(18-19)20(22)23/h5-8H,3-4,9H2,1-2H3,(H,17,21)