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

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C20H14ClNO6 MolecularWeight: 399.78126

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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=C(C(=C3)Cl)OCO4

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H14ClNO6/c1-2-5-22-18(23)13-4-3-12(8-14(13)19(22)24)20(25)26-9-11-6-15(21)17-16(7-11)27-10-28-17/h2-4,6-8H,1,5,9-10H2