2-(3-ethynylphenyl)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione

Systemtic Name: 2-(3-ethynylphenyl)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione Openeye Name: 2-(3-ethynylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindoline-1,3-dione CAS Name: 2-(3-ethynylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione IUPAC Name: 2-(3-ethynylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione Traditional Name: 2-(3-ethynylphenyl)-5-(4-keto-3,1-benzoxazin-2-yl)isoindoline-1,3-quinone Formula: C24H12N2O4 MolecularWeight: 392.36308

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4

Isomeric SMILES

C#CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C24H12N2O4/c1-2-14-6-5-7-16(12-14)26-22(27)17-11-10-15(13-19(17)23(26)28)21-25-20-9-4-3-8-18(20)24(29)30-21/h1,3-13H