2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid 2-phthalimidoethyl ester Formula: C20H15N3O5 MolecularWeight: 377.3502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C20H15N3O5/c21-10-9-17(24)22-14-7-5-13(6-8-14)20(27)28-12-11-23-18(25)15-3-1-2-4-16(15)19(23)26/h1-8H,9,11-12H2,(H,22,24)