methyl 2-[2-[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate

Systemtic Name: methyl 2-[2-[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate Openeye Name: methyl 2-[[2-[2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]acetate CAS Name: 2-[[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate Traditional Name: 2-[[2-[2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl]-1-keto-5-isoquinolyl]oxy]acetic acid methyl ester Formula: C21H19ClN2O6 MolecularWeight: 430.83836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CN2C=CC3=C(C2=O)C=CC=C3OCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CN2C=CC3=C(C2=O)C=CC=C3OCC(=O)OC

InChI

InChI=1S/C21H19ClN2O6/c1-28-18-7-6-13(22)10-16(18)23-19(25)11-24-9-8-14-15(21(24)27)4-3-5-17(14)30-12-20(26)29-2/h3-10H,11-12H2,1-2H3,(H,23,25)