4-bromanyl-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-3-nitro-N-[1-(p-tolylmethyl)-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[1-(4-methylbenzyl)-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C14H12BrN7O3 MolecularWeight: 406.19418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

InChI

InChI=1S/C14H12BrN7O3/c1-8-2-4-9(5-3-8)6-21-7-16-14(20-21)17-13(23)11-10(15)12(19-18-11)22(24)25/h2-5,7H,6H2,1H3,(H,18,19)(H,17,20,23)