methyl 2-[2-[2,4-bis(chloranyl)phenoxy]ethanoylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[2-[2,4-bis(chloranyl)phenoxy]ethanoylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C19H14Cl2N2O5 MolecularWeight: 421.23086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14Cl2N2O5/c1-27-19(26)14-9-23(18(25)13-5-3-2-4-12(13)14)22-17(24)10-28-16-7-6-11(20)8-15(16)21/h2-9H,10H2,1H3,(H,22,24)