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

Systemtic Name: N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C15H13BrN6O3 MolecularWeight: 405.20612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Br)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H13BrN6O3/c1-20-9-13(22(24)25)14(19-20)15(23)18-12-4-2-3-10(5-12)7-21-8-11(16)6-17-21/h2-6,8-9H,7H2,1H3,(H,18,23)