[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 3,5-dibromo-2-hydroxy-benzoate CAS Name: 3,5-dibromo-2-hydroxybenzoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate Traditional Name: 3,5-dibromo-2-hydroxy-benzoic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C18H17Br2NO6 MolecularWeight: 503.13868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC(=CC(=C2O)Br)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC(=CC(=C2O)Br)Br)OC

InChI

InChI=1S/C18H17Br2NO6/c1-25-14-4-3-10(5-15(14)26-2)8-21-16(22)9-27-18(24)12-6-11(19)7-13(20)17(12)23/h3-7,23H,8-9H2,1-2H3,(H,21,22)