[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C21H15N3O5 MolecularWeight: 389.3609

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H15N3O5/c1-2-8-24-19(26)16-7-6-14(10-17(16)20(24)27)21(28)29-12-18(25)23-15-5-3-4-13(9-15)11-22/h2-7,9-10H,1,8,12H2,(H,23,25)