2-[3-(4-azanyl-3-methoxy-phenyl)-1H-1,2,4-triazol-5-yl]ethanoate

Systemtic Name: 2-[3-(4-azanyl-3-methoxy-phenyl)-1H-1,2,4-triazol-5-yl]ethanoate Openeye Name: 2-[3-(4-amino-3-methoxy-phenyl)-1H-1,2,4-triazol-5-yl]acetate CAS Name: 2-[3-(4-amino-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]acetate IUPAC Name: 2-[3-(4-amino-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]acetate Traditional Name: 2-[3-(4-amino-3-methoxy-phenyl)-1H-1,2,4-triazol-5-yl]acetate Formula: C11H11N4O3- MolecularWeight: 247.23004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NNC(=N2)CC(=O)[O-])N

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NNC(=N2)CC(=O)[O-])N

InChI

InChI=1S/C11H12N4O3/c1-18-8-4-6(2-3-7(8)12)11-13-9(14-15-11)5-10(16)17/h2-4H,5,12H2,1H3,(H,16,17)(H,13,14,15)/p-1