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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid phthalimidomethyl ester Formula: C19H13N3O5 MolecularWeight: 363.32362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13N3O5/c20-10-9-16(23)21-13-7-5-12(6-8-13)19(26)27-11-22-17(24)14-3-1-2-4-15(14)18(22)25/h1-8H,9,11H2,(H,21,23)