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

Systemtic Name: N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[1-(4-fluorobenzyl)-1,2,4-triazol-3-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Formula: C14H12FN7O4 MolecularWeight: 361.287983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=NN(C=N2)CC3=CC=C(C=C3)F

Isomeric SMILES

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=NN(C=N2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C14H12FN7O4/c1-26-13-11(22(24)25)10(18-19-13)12(23)17-14-16-7-21(20-14)6-8-2-4-9(15)5-3-8/h2-5,7H,6H2,1H3,(H,18,19)(H,17,20,23)