[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)/N

InChI

InChI=1S/C18H17N3O5/c1-11(20)14(9-19)15(22)10-26-16(23)7-4-8-21-17(24)12-5-2-3-6-13(12)18(21)25/h2-3,5-6H,4,7-8,10,20H2,1H3/b14-11+