methyl 3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-4-chloranyl-benzoate Openeye Name: methyl 4-chloro-3-[3-(1,3-dioxoisoindolin-2-yl)propanoylamino]benzoate CAS Name: 4-chloro-3-[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate Traditional Name: 4-chloro-3-(3-phthalimidopropanoylamino)benzoic acid methyl ester Formula: C19H15ClN2O5 MolecularWeight: 386.7858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

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