(but-3-ynoylamino) (E)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-methyl-pent-3-enoate

Systemtic Name: (but-3-ynoylamino) (E)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-methyl-pent-3-enoate Openeye Name: (but-3-ynoylamino) (E)-5-(1,3-dioxoisoindolin-2-yl)-2-methyl-pent-3-enoate CAS Name: (E)-5-(1,3-dioxo-2-isoindolyl)-2-methyl-3-pentenoic acid (1-oxobut-3-ynylamino) ester IUPAC Name: (but-3-ynoylamino) (E)-5-(1,3-dioxoisoindol-2-yl)-2-methylpent-3-enoate Traditional Name: (E)-2-methyl-5-phthalimido-pent-3-enoic acid (but-3-ynoylamino) ester Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CCN1C(=O)C2=CC=CC=C2C1=O)C(=O)ONC(=O)CC#C

Isomeric SMILES

CC(/C=C/CN1C(=O)C2=CC=CC=C2C1=O)C(=O)ONC(=O)CC#C

InChI

InChI=1S/C18H16N2O5/c1-3-7-15(21)19-25-18(24)12(2)8-6-11-20-16(22)13-9-4-5-10-14(13)17(20)23/h1,4-6,8-10,12H,7,11H2,2H3,(H,19,21)/b8-6+