2-[(5E)-5-(3-oxidanylidene-2-phenyl-isoindol-1-ylidene)pent-3-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[(5E)-5-(3-oxidanylidene-2-phenyl-isoindol-1-ylidene)pent-3-ynyl]isoindole-1,3-dione Openeye Name: 2-[(5E)-5-(3-oxo-2-phenyl-isoindolin-1-ylidene)pent-3-ynyl]isoindoline-1,3-dione CAS Name: 2-[(5E)-5-(3-oxo-2-phenyl-1-isoindolylidene)pent-3-ynyl]isoindole-1,3-dione IUPAC Name: 2-[(5E)-5-(3-oxo-2-phenylisoindol-1-ylidene)pent-3-ynyl]isoindole-1,3-dione Traditional Name: 2-[(5E)-5-(3-keto-2-phenyl-isoindolin-1-ylidene)pent-3-ynyl]isoindoline-1,3-quinone Formula: C27H18N2O3 MolecularWeight: 418.44342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC#CCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5C2=O

Isomeric SMILES

C1=CC=C(C=C1)N2/C(=C/C#CCCN3C(=O)C4=CC=CC=C4C3=O)/C5=CC=CC=C5C2=O

InChI

InChI=1S/C27H18N2O3/c30-25-22-15-8-9-16-23(22)26(31)28(25)18-10-2-5-17-24-20-13-6-7-14-21(20)27(32)29(24)19-11-3-1-4-12-19/h1,3-4,6-9,11-17H,10,18H2/b24-17+