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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C14H15BrN4O3 MolecularWeight: 367.1979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C14H15BrN4O3/c1-8-6-11(15)4-5-12(8)16-13(20)7-18-10(3)14(19(21)22)9(2)17-18/h4-6H,7H2,1-3H3,(H,16,20)