[1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-1-methyl-2-oxo-ethyl] 3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanoic acid [1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-phthalimidopropionic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H19ClN2O6 MolecularWeight: 430.83836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)OC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)OC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

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