ethyl 4-[(6-bromanyl-3-methyl-1-oxidanylidene-4H-isochromen-3-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(6-bromanyl-3-methyl-1-oxidanylidene-4H-isochromen-3-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(6-bromo-3-methyl-1-oxo-isochromane-3-carbonyl)amino]benzoate CAS Name: 4-[[(6-bromo-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-bromo-3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzoate Traditional Name: 4-[(6-bromo-1-keto-3-methyl-isochroman-3-carbonyl)amino]benzoic acid ethyl ester Formula: C20H18BrNO5 MolecularWeight: 432.26462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrNO5/c1-3-26-17(23)12-4-7-15(8-5-12)22-19(25)20(2)11-13-10-14(21)6-9-16(13)18(24)27-20/h4-10H,3,11H2,1-2H3,(H,22,25)