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

Systemtic Name: [2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl] 2,3,4-trimethoxybenzoate Openeye Name: [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxo-ethyl] 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic 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] 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-keto-ethyl] ester Formula: C20H20BrNO8 MolecularWeight: 482.2787

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2Br)OCCO3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2Br)OCCO3)OC)OC

InChI

InChI=1S/C20H20BrNO8/c1-25-14-5-4-11(18(26-2)19(14)27-3)20(24)30-10-17(23)22-13-9-16-15(8-12(13)21)28-6-7-29-16/h4-5,8-9H,6-7,10H2,1-3H3,(H,22,23)