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

Systemtic Name: methyl 4-chloranyl-2-[(6-ethyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-2-[(6-ethyl-1-oxo-isochromane-3-carbonyl)amino]benzoate CAS Name: 4-chloro-2-[[(6-ethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[(6-ethyl-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]benzoate Traditional Name: 4-chloro-2-[(6-ethyl-1-keto-isochroman-3-carbonyl)amino]benzoic acid methyl ester Formula: C20H18ClNO5 MolecularWeight: 387.81362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)OC

InChI

InChI=1S/C20H18ClNO5/c1-3-11-4-6-14-12(8-11)9-17(27-20(14)25)18(23)22-16-10-13(21)5-7-15(16)19(24)26-2/h4-8,10,17H,3,9H2,1-2H3,(H,22,23)