2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]ethanamide Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[1-(o-tolylmethyl)pyrazol-4-yl]acetamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[1-(2-methylbenzyl)pyrazol-4-yl]acetamide Formula: C17H17BrN6O3 MolecularWeight: 433.25928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Br)C

InChI

InChI=1S/C17H17BrN6O3/c1-11-5-3-4-6-13(11)8-22-9-14(7-19-22)20-15(25)10-23-12(2)16(18)17(21-23)24(26)27/h3-7,9H,8,10H2,1-2H3,(H,20,25)