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

Systemtic Name: methyl (E)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(ethynylamino)pent-3-enoate Openeye Name: methyl (E)-5-(1,3-dioxoisoindolin-2-yl)-2-(ethynylamino)pent-3-enoate CAS Name: (E)-5-(1,3-dioxo-2-isoindolyl)-2-(ethynylamino)-3-pentenoic acid methyl ester IUPAC Name: methyl (E)-5-(1,3-dioxoisoindol-2-yl)-2-(ethynylamino)pent-3-enoate Traditional Name: (E)-2-(ethynylamino)-5-phthalimido-pent-3-enoic acid methyl ester Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C=CCN1C(=O)C2=CC=CC=C2C1=O)NC#C

Isomeric SMILES

COC(=O)C(/C=C/CN1C(=O)C2=CC=CC=C2C1=O)NC#C

InChI

InChI=1S/C16H14N2O4/c1-3-17-13(16(21)22-2)9-6-10-18-14(19)11-7-4-5-8-12(11)15(18)20/h1,4-9,13,17H,10H2,2H3/b9-6+