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

Systemtic Name: 4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(3,4-dimethylphenyl)butanamide Openeye Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(3,4-dimethylphenyl)butanamide CAS Name: 4-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-(3,4-dimethylphenyl)butanamide IUPAC Name: 4-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(3,4-dimethylphenyl)butanamide Traditional Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(3,4-dimethylphenyl)butyramide Formula: C16H19BrN4O3 MolecularWeight: 395.25106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN4O3/c1-10-6-7-13(9-11(10)2)18-14(22)5-4-8-20-12(3)15(17)16(19-20)21(23)24/h6-7,9H,4-5,8H2,1-3H3,(H,18,22)