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

Systemtic Name: methyl 2-[(6-bromanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]-4-chloranyl-benzoate Openeye Name: methyl 2-[(6-bromo-1-oxo-isochromane-3-carbonyl)amino]-4-chloro-benzoate CAS Name: 2-[[(6-bromo-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-oxomethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 2-[(6-bromo-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]-4-chlorobenzoate Traditional Name: 2-[(6-bromo-1-keto-isochroman-3-carbonyl)amino]-4-chloro-benzoic acid methyl ester Formula: C18H13BrClNO5 MolecularWeight: 438.65652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrClNO5/c1-25-17(23)13-5-3-11(20)8-14(13)21-16(22)15-7-9-6-10(19)2-4-12(9)18(24)26-15/h2-6,8,15H,7H2,1H3,(H,21,22)