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

Systemtic Name: N-[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-4-chloranyl-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chloro-3-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[4-[(4-bromo-1-pyrazolyl)methyl]phenyl]-4-chloro-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chloro-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chloro-3-nitro-1H-pyrazole-5-carboxamide Formula: C14H10BrClN6O3 MolecularWeight: 425.6246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C=N2)Br)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C=N2)Br)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H10BrClN6O3/c15-9-5-17-21(7-9)6-8-1-3-10(4-2-8)18-14(23)12-11(16)13(20-19-12)22(24)25/h1-5,7H,6H2,(H,18,23)(H,19,20)