(2,5-dimethylphenyl) 6-bromanyl-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: (2,5-dimethylphenyl) 6-bromanyl-2-oxidanylidene-chromene-3-carboxylate Openeye Name: (2,5-dimethylphenyl) 6-bromo-2-oxo-chromene-3-carboxylate CAS Name: 6-bromo-2-oxo-1-benzopyran-3-carboxylic acid (2,5-dimethylphenyl) ester IUPAC Name: (2,5-dimethylphenyl) 6-bromo-2-oxochromene-3-carboxylate Traditional Name: 6-bromo-2-keto-chromene-3-carboxylic acid (2,5-dimethylphenyl) ester Formula: C18H13BrO4 MolecularWeight: 373.19742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

InChI

InChI=1S/C18H13BrO4/c1-10-3-4-11(2)16(7-10)23-18(21)14-9-12-8-13(19)5-6-15(12)22-17(14)20/h3-9H,1-2H3