[2-oxidanylidene-3-(prop-2-enylcarbamoyl)chromen-7-yl] 2-bromanyl-3,4,5-trimethoxy-benzoate

Systemtic Name: [2-oxidanylidene-3-(prop-2-enylcarbamoyl)chromen-7-yl] 2-bromanyl-3,4,5-trimethoxy-benzoate Openeye Name: [3-(allylcarbamoyl)-2-oxo-chromen-7-yl] 2-bromo-3,4,5-trimethoxy-benzoate CAS Name: 2-bromo-3,4,5-trimethoxybenzoic acid [2-oxo-3-[oxo-(prop-2-enylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(prop-2-enylcarbamoyl)chromen-7-yl] 2-bromo-3,4,5-trimethoxybenzoate Traditional Name: 2-bromo-3,4,5-trimethoxy-benzoic acid [3-(allylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C23H20BrNO8 MolecularWeight: 518.3108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC=C)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC=C)Br)OC)OC

InChI

InChI=1S/C23H20BrNO8/c1-5-8-25-21(26)15-9-12-6-7-13(10-16(12)33-23(15)28)32-22(27)14-11-17(29-2)19(30-3)20(31-4)18(14)24/h5-7,9-11H,1,8H2,2-4H3,(H,25,26)