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

Systemtic Name: N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[1-(2-fluorobenzyl)-1,2,4-triazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide Formula: C13H10FN7O3 MolecularWeight: 331.262003

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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-])F

Isomeric SMILES

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

InChI

InChI=1S/C13H10FN7O3/c14-9-4-2-1-3-8(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)