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

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[1-(4-chlorobenzyl)-1,2,4-triazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide Formula: C13H10ClN7O3 MolecularWeight: 347.7166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC(=N2)NC(=O)C3=C(C=NN3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC(=N2)NC(=O)C3=C(C=NN3)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H10ClN7O3/c14-9-3-1-8(2-4-9)6-20-7-15-13(19-20)17-12(22)11-10(21(23)24)5-16-18-11/h1-5,7H,6H2,(H,16,18)(H,17,19,22)