ethyl 2-[4-azanyl-5-oxidanylidene-3-(phenylmethyl)-1,2,4-triazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-azanyl-5-oxidanylidene-3-(phenylmethyl)-1,2,4-triazol-1-yl]ethanoate Openeye Name: ethyl 2-(4-amino-3-benzyl-5-oxo-1,2,4-triazol-1-yl)acetate CAS Name: 2-[4-amino-5-oxo-3-(phenylmethyl)-1,2,4-triazol-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-amino-3-benzyl-5-oxo-1,2,4-triazol-1-yl)acetate Traditional Name: 2-(4-amino-3-benzyl-5-keto-1,2,4-triazol-1-yl)acetic acid ethyl ester Formula: C13H16N4O3 MolecularWeight: 276.29114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)N(C(=N1)CC2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)CN1C(=O)N(C(=N1)CC2=CC=CC=C2)N

InChI

InChI=1S/C13H16N4O3/c1-2-20-12(18)9-16-13(19)17(14)11(15-16)8-10-6-4-3-5-7-10/h3-7H,2,8-9,14H2,1H3