methyl 2-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[2-(2-chloro-6-fluorophenyl)-1-oxoethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C19H14ClFN2O4 MolecularWeight: 388.776863

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H14ClFN2O4/c1-27-19(26)14-10-23(18(25)12-6-3-2-5-11(12)14)22-17(24)9-13-15(20)7-4-8-16(13)21/h2-8,10H,9H2,1H3,(H,22,24)