methyl 1-[2-(aminomethyl)-5-fluoranyl-phenyl]-1,2,4-triazole-3-carboxylate

Systemtic Name: methyl 1-[2-(aminomethyl)-5-fluoranyl-phenyl]-1,2,4-triazole-3-carboxylate Openeye Name: methyl 1-[2-(aminomethyl)-5-fluoro-phenyl]-1,2,4-triazole-3-carboxylate CAS Name: 1-[2-(aminomethyl)-5-fluorophenyl]-1,2,4-triazole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-[2-(aminomethyl)-5-fluorophenyl]-1,2,4-triazole-3-carboxylate Traditional Name: 1-[2-(aminomethyl)-5-fluoro-phenyl]-1,2,4-triazole-3-carboxylic acid methyl ester Formula: C11H11FN4O2 MolecularWeight: 250.229043

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=N1)C2=C(C=CC(=C2)F)CN

Isomeric SMILES

COC(=O)C1=NN(C=N1)C2=C(C=CC(=C2)F)CN

InChI

InChI=1S/C11H11FN4O2/c1-18-11(17)10-14-6-16(15-10)9-4-8(12)3-2-7(9)5-13/h2-4,6H,5,13H2,1H3