[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butyric acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H21NO8 MolecularWeight: 427.40404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CCC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CCC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H21NO8/c1-13(22(26)23-15-3-6-18-20(11-15)30-12-29-18)31-21(25)7-4-16(24)14-2-5-17-19(10-14)28-9-8-27-17/h2-3,5-6,10-11,13H,4,7-9,12H2,1H3,(H,23,26)