4-(4-bromophenyl)-5,7-dimethoxy-chromen-2-one

Systemtic Name: 4-(4-bromophenyl)-5,7-dimethoxy-chromen-2-one Openeye Name: 4-(4-bromophenyl)-5,7-dimethoxy-chromen-2-one CAS Name: 4-(4-bromophenyl)-5,7-dimethoxy-1-benzopyran-2-one IUPAC Name: 4-(4-bromophenyl)-5,7-dimethoxychromen-2-one Traditional Name: 4-(4-bromophenyl)-5,7-dimethoxy-coumarin Formula: C17H13BrO4 MolecularWeight: 361.18672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=CC(=O)OC2=C1)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=CC(=C2C(=CC(=O)OC2=C1)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C17H13BrO4/c1-20-12-7-14(21-2)17-13(9-16(19)22-15(17)8-12)10-3-5-11(18)6-4-10/h3-9H,1-2H3