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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]acetamide Formula: C16H18BrN5O4 MolecularWeight: 424.24922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN5O4/c1-9-6-12(17)4-5-13(9)19-14(23)7-18-15(24)8-21-11(3)16(22(25)26)10(2)20-21/h4-6H,7-8H2,1-3H3,(H,18,24)(H,19,23)