3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H19N3O5/c1-2-10-25-19(26)15-9-8-14(13-16(15)20(25)27)21(28)30-12-5-11-24-18-7-4-3-6-17(18)23-22(24)29/h2-4,6-9,13H,1,5,10-12H2,(H,23,29)