N-(4-bromanyl-2-methyl-phenyl)-2-(3-nitropyrazol-1-yl)ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-(3-nitropyrazol-1-yl)ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-(3-nitropyrazol-1-yl)acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-(3-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-(3-nitropyrazol-1-yl)acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-(3-nitropyrazol-1-yl)acetamide Formula: C12H11BrN4O3 MolecularWeight: 339.14474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrN4O3/c1-8-6-9(13)2-3-10(8)14-12(18)7-16-5-4-11(15-16)17(19)20/h2-6H,7H2,1H3,(H,14,18)