ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyano-1,2,3-triazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyano-1,2,3-triazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyano-triazol-1-yl]acetate CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-5-cyano-1-triazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyanotriazol-1-yl]acetate Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)-5-cyano-triazol-1-yl]acetic acid ethyl ester Formula: C14H12N4O4 MolecularWeight: 300.26948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(N=N1)C2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CCOC(=O)CN1C(=C(N=N1)C2=CC3=C(C=C2)OCO3)C#N

InChI

InChI=1S/C14H12N4O4/c1-2-20-13(19)7-18-10(6-15)14(16-17-18)9-3-4-11-12(5-9)22-8-21-11/h3-5H,2,7-8H2,1H3