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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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