[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-oxidanyl-benzoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-oxidanyl-benzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] 3-bromo-4-hydroxy-5-methoxy-benzoate CAS Name: 3-bromo-4-hydroxy-5-methoxybenzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 3-bromo-4-hydroxy-5-methoxybenzoate Traditional Name: 3-bromo-4-hydroxy-5-methoxy-benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C18H16BrNO7 MolecularWeight: 438.22614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3)Br)O

InChI

InChI=1S/C18H16BrNO7/c1-24-15-7-10(6-12(19)17(15)22)18(23)27-9-16(21)20-11-2-3-13-14(8-11)26-5-4-25-13/h2-3,6-8,22H,4-5,9H2,1H3,(H,20,21)