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

Systemtic Name: methyl 2-[(6-bromanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]benzoate Openeye Name: methyl 2-[(6-bromo-1-oxo-isochromane-3-carbonyl)amino]benzoate CAS Name: 2-[[(6-bromo-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(6-bromo-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]benzoate Traditional Name: 2-[(6-bromo-1-keto-isochroman-3-carbonyl)amino]benzoic acid methyl ester Formula: C18H14BrNO5 MolecularWeight: 404.21146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2CC3=C(C=CC(=C3)Br)C(=O)O2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2CC3=C(C=CC(=C3)Br)C(=O)O2

InChI

InChI=1S/C18H14BrNO5/c1-24-17(22)13-4-2-3-5-14(13)20-16(21)15-9-10-8-11(19)6-7-12(10)18(23)25-15/h2-8,15H,9H2,1H3,(H,20,21)