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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-(4-bromo-2-methylphenyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propionamide Formula: C15H17BrN4O3 MolecularWeight: 381.22448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C(C)N2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C(C)N2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

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