methyl 2-[2-(4-chloranylphenoxy)ethanoylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[2-(4-chloranylphenoxy)ethanoylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[2-(4-chlorophenoxy)-1-oxoethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[[2-(4-chlorophenoxy)acetyl]amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C19H15ClN2O5 MolecularWeight: 386.7858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H15ClN2O5/c1-26-19(25)16-10-22(18(24)15-5-3-2-4-14(15)16)21-17(23)11-27-13-8-6-12(20)7-9-13/h2-10H,11H2,1H3,(H,21,23)