[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate CAS Name: 3-(2-oxo-1,3-benzoxazol-3-yl)propanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate Traditional Name: 3-(2-keto-1,3-benzoxazol-3-yl)propionic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)CCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)CCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H18N2O7/c23-18(21-10-13-5-6-16-17(9-13)28-12-27-16)11-26-19(24)7-8-22-14-3-1-2-4-15(14)29-20(22)25/h1-6,9H,7-8,10-12H2,(H,21,23)