methyl 2-[(6-bromanyl-3-methyl-1-oxidanylidene-4H-isochromen-3-yl)carbonylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2)Br)C(=O)O1)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1(CC2=C(C=CC(=C2)Br)C(=O)O1)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

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