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

Systemtic Name: 4-bromanyl-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[1-(2,4-dichlorobenzyl)-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C13H8BrCl2N7O3 MolecularWeight: 461.05772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)CN2C=NC(=N2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)CN2C=NC(=N2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

InChI

InChI=1S/C13H8BrCl2N7O3/c14-9-10(19-20-11(9)23(25)26)12(24)18-13-17-5-22(21-13)4-6-1-2-7(15)3-8(6)16/h1-3,5H,4H2,(H,19,20)(H,18,21,24)