N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-2,5-dimethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,5-dimethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C16H15BrN6O3 MolecularWeight: 419.2327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Br)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Br)C

InChI

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