ethyl 2-[5-(phenylazanylmethyl)-1H-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-(phenylazanylmethyl)-1H-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-(anilinomethyl)-1H-1,2,4-triazol-3-yl]acetate CAS Name: 2-[5-(anilinomethyl)-1H-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(anilinomethyl)-1H-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-(anilinomethyl)-1H-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C13H16N4O2 MolecularWeight: 260.29174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NNC(=N1)CNC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC1=NNC(=N1)CNC2=CC=CC=C2

InChI

InChI=1S/C13H16N4O2/c1-2-19-13(18)8-11-15-12(17-16-11)9-14-10-6-4-3-5-7-10/h3-7,14H,2,8-9H2,1H3,(H,15,16,17)