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

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

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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-])Cl

Isomeric SMILES

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

InChI

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