4-bromanyl-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)C

InChI

InChI=1S/C17H17BrN6O3/c1-9-6-4-5-7-12(9)8-23-11(3)14(10(2)22-23)19-17(25)15-13(18)16(21-20-15)24(26)27/h4-7H,8H2,1-3H3,(H,19,25)(H,20,21)