ethyl 4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-4-oxo-butanoate CAS Name: 4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-4-oxobutanoate Traditional Name: 4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-4-keto-butyric acid ethyl ester Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C(=O)CCC(=O)OCC

Isomeric SMILES

CCOC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C(=O)CCC(=O)OCC

InChI

InChI=1S/C17H19N3O6/c1-3-23-15(22)8-7-14(21)20-16(18-17(19-20)24-4-2)11-5-6-12-13(9-11)26-10-25-12/h5-6,9H,3-4,7-8,10H2,1-2H3