2-(5-oxidanylidene-3-phenyl-1H-1,2,4-triazol-4-yl)isoindole-1,3-dione

Systemtic Name: 2-(5-oxidanylidene-3-phenyl-1H-1,2,4-triazol-4-yl)isoindole-1,3-dione Openeye Name: 2-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)isoindoline-1,3-dione CAS Name: 2-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)isoindole-1,3-dione IUPAC Name: 2-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)isoindole-1,3-dione Traditional Name: 2-(5-keto-3-phenyl-1H-1,2,4-triazol-4-yl)isoindoline-1,3-quinone Formula: C16H10N4O3 MolecularWeight: 306.2756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=O)N2N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=O)N2N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C16H10N4O3/c21-14-11-8-4-5-9-12(11)15(22)20(14)19-13(17-18-16(19)23)10-6-2-1-3-7-10/h1-9H,(H,18,23)