(2-chloranylquinolin-3-yl)methyl 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: (2-chloro-3-quinolyl)methyl 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid (2-chloro-3-quinolyl)methyl ester Formula: C22H15ClN2O4 MolecularWeight: 406.8185

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C22H15ClN2O4/c1-2-9-25-20(26)16-8-7-14(11-17(16)21(25)27)22(28)29-12-15-10-13-5-3-4-6-18(13)24-19(15)23/h2-8,10-11H,1,9,12H2