3-cyanopropyl 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate

Systemtic Name: 3-cyanopropyl 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: 3-cyanopropyl 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid 3-cyanopropyl ester Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCCCC#N

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCCCC#N

InChI

InChI=1S/C16H14N2O4/c1-2-8-18-14(19)12-6-5-11(10-13(12)15(18)20)16(21)22-9-4-3-7-17/h2,5-6,10H,1,3-4,8-9H2