[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3,4,5-triethoxybenzoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3,4,5-triethoxybenzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H27NO8 MolecularWeight: 445.46238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H27NO8/c1-5-27-19-10-15(11-20(28-6-2)21(19)29-7-3)23(26)32-14(4)22(25)24-16-8-9-17-18(12-16)31-13-30-17/h8-12,14H,5-7,13H2,1-4H3,(H,24,25)