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

Systemtic Name: N-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C17H17BrN6O3 MolecularWeight: 433.25928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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