6-bromanyl-N-(4-ethanoylphenyl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: 6-bromanyl-N-(4-ethanoylphenyl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: N-(4-acetylphenyl)-6-bromo-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: N-(4-acetylphenyl)-6-bromo-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(4-acetylphenyl)-6-bromo-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: N-(4-acetylphenyl)-6-bromo-1-keto-3-methyl-isochroman-3-carboxamide Formula: C19H16BrNO4 MolecularWeight: 402.23864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C2(CC3=C(C=CC(=C3)Br)C(=O)O2)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C2(CC3=C(C=CC(=C3)Br)C(=O)O2)C

InChI

InChI=1S/C19H16BrNO4/c1-11(22)12-3-6-15(7-4-12)21-18(24)19(2)10-13-9-14(20)5-8-16(13)17(23)25-19/h3-9H,10H2,1-2H3,(H,21,24)