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

Systemtic Name: N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C14H11BrN6O3 MolecularWeight: 391.17954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC(=NN2)[N+](=O)[O-])CN3C=C(C=N3)Br

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC(=NN2)[N+](=O)[O-])CN3C=C(C=N3)Br

InChI

InChI=1S/C14H11BrN6O3/c15-10-6-16-20(8-10)7-9-2-1-3-11(4-9)17-14(22)12-5-13(19-18-12)21(23)24/h1-6,8H,7H2,(H,17,22)(H,18,19)