ethyl 4-[(6-bromanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(6-bromanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(6-bromo-1-oxo-isochromane-3-carbonyl)amino]benzoate CAS Name: 4-[[(6-bromo-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-bromo-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]benzoate Traditional Name: 4-[(6-bromo-1-keto-isochroman-3-carbonyl)amino]benzoic acid ethyl ester Formula: C19H16BrNO5 MolecularWeight: 418.23804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC3=C(C=CC(=C3)Br)C(=O)O2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC3=C(C=CC(=C3)Br)C(=O)O2

InChI

InChI=1S/C19H16BrNO5/c1-2-25-18(23)11-3-6-14(7-4-11)21-17(22)16-10-12-9-13(20)5-8-15(12)19(24)26-16/h3-9,16H,2,10H2,1H3,(H,21,22)