4-bromanyl-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[3-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C16H15BrN6O3 MolecularWeight: 419.2327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC(=CC=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC(=CC=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)C

InChI

InChI=1S/C16H15BrN6O3/c1-9-6-10(2)22(21-9)8-11-4-3-5-12(7-11)18-16(24)14-13(17)15(20-19-14)23(25)26/h3-7H,8H2,1-2H3,(H,18,24)(H,19,20)