N-(4-bromanyl-2-methyl-phenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-1-[(4-nitro-1-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C15H13BrN6O3 MolecularWeight: 405.20612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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