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

Systemtic Name: methyl 4-chloranyl-3-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[(1-oxoisochromane-3-carbonyl)amino]benzoate CAS Name: 4-chloro-3-[[oxo-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]benzoate Traditional Name: 4-chloro-3-[(1-ketoisochroman-3-carbonyl)amino]benzoic acid methyl ester Formula: C18H14ClNO5 MolecularWeight: 359.76046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C18H14ClNO5/c1-24-17(22)11-6-7-13(19)14(8-11)20-16(21)15-9-10-4-2-3-5-12(10)18(23)25-15/h2-8,15H,9H2,1H3,(H,20,21)