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

Systemtic Name: ethyl 2-[5-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrazol-2-yl]ethanoate Openeye Name: ethyl 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]acetate CAS Name: 2-[5-(1,3-benzodioxol-5-yl)-2-tetrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]acetate Traditional Name: 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]acetic acid ethyl ester Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1N=C(N=N1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)CN1N=C(N=N1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H12N4O4/c1-2-18-11(17)6-16-14-12(13-15-16)8-3-4-9-10(5-8)20-7-19-9/h3-5H,2,6-7H2,1H3