[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 2-cyanoethanoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 2-cyanoethanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] 2-cyanoacetate CAS Name: 2-cyanoacetic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-cyanoacetate Traditional Name: 2-cyanoacetic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)CC#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)CC#N

InChI

InChI=1S/C13H12N2O5/c14-4-3-13(17)20-8-12(16)15-9-1-2-10-11(7-9)19-6-5-18-10/h1-2,7H,3,5-6,8H2,(H,15,16)