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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)OC

InChI

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