[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C20H20ClNO7 MolecularWeight: 421.8283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=C(C(=C3)Cl)OC)OC

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=C(C(=C3)Cl)OC)OC

InChI

InChI=1S/C20H20ClNO7/c1-11(19(23)22-9-12-4-5-15-16(6-12)28-10-27-15)29-20(24)13-7-14(21)18(26-3)17(8-13)25-2/h4-8,11H,9-10H2,1-3H3,(H,22,23)