[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C21H19NO8 MolecularWeight: 413.37746

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)COC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)COC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4)OC1

InChI

InChI=1S/C21H19NO8/c23-15(13-2-4-16-18(8-13)27-7-1-6-26-16)11-28-20(24)10-22-21(25)14-3-5-17-19(9-14)30-12-29-17/h2-5,8-9H,1,6-7,10-12H2,(H,22,25)