[1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-(4-chloro-2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)OC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)OC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C21H19ClN2O5/c1-11-8-16(18(28-3)10-15(11)22)23-19(25)12(2)29-21(27)17-9-13-6-4-5-7-14(13)20(26)24-17/h4-10,12H,1-3H3,(H,23,25)(H,24,26)