[2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl] 2,3-dimethoxybenzoate

Systemtic Name: [2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl] 2,3-dimethoxybenzoate Openeye Name: [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxo-ethyl] 2,3-dimethoxybenzoate CAS Name: 2,3-dimethoxybenzoic acid [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl] 2,3-dimethoxybenzoate Traditional Name: 2,3-dimethoxybenzoic acid [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-keto-ethyl] ester Formula: C19H18BrNO7 MolecularWeight: 452.25272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(=O)OCC(=O)NC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

COC1=CC=CC(=C1OC)C(=O)OCC(=O)NC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C19H18BrNO7/c1-24-14-5-3-4-11(18(14)25-2)19(23)28-10-17(22)21-13-9-16-15(8-12(13)20)26-6-7-27-16/h3-5,8-9H,6-7,10H2,1-2H3,(H,21,22)