(E)-3-azanyl-2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(1,3-dioxoisoindolin-2-yl)acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(1,3-dioxoisoindol-2-yl)acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-(2-phthalimidoacetyl)but-2-enenitrile Formula: C14H11N3O3 MolecularWeight: 269.25544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CN1C(=O)C2=CC=CC=C2C1=O)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CN1C(=O)C2=CC=CC=C2C1=O)/N

InChI

InChI=1S/C14H11N3O3/c1-8(16)11(6-15)12(18)7-17-13(19)9-4-2-3-5-10(9)14(17)20/h2-5H,7,16H2,1H3/b11-8+