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

Systemtic Name: 1,3-bis(oxidanylidene)-2-(5-phenyl-1H-1,2,4-triazol-3-yl)isoindole-5-carboxylate Openeye Name: 1,3-dioxo-2-(5-phenyl-1H-1,2,4-triazol-3-yl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(5-phenyl-1H-1,2,4-triazol-3-yl)-5-isoindolecarboxylate IUPAC Name: 1,3-dioxo-2-(5-phenyl-1H-1,2,4-triazol-3-yl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(5-phenyl-1H-1,2,4-triazol-3-yl)isoindoline-5-carboxylate Formula: C17H9N4O4- MolecularWeight: 333.27776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C17H10N4O4/c22-14-11-7-6-10(16(24)25)8-12(11)15(23)21(14)17-18-13(19-20-17)9-4-2-1-3-5-9/h1-8H,(H,24,25)(H,18,19,20)/p-1