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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanamide CAS Name: N-(4-bromo-2-methylphenyl)-4-(3,5-dimethyl-4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(4-bromo-2-methylphenyl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyramide Formula: C16H19BrN4O3 MolecularWeight: 395.25106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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