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

Systemtic Name: 4-bromanyl-N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[1-(2-chlorobenzyl)-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C13H9BrClN7O3 MolecularWeight: 426.61266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9BrClN7O3/c14-9-10(18-19-11(9)22(24)25)12(23)17-13-16-6-21(20-13)5-7-3-1-2-4-8(7)15/h1-4,6H,5H2,(H,18,19)(H,17,20,23)