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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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