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

Systemtic Name: 1,3-bis(oxidanylidene)-2-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)isoindole-5-carboxylate Openeye Name: 1,3-dioxo-2-[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-[5-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]-5-isoindolecarboxylate IUPAC Name: 1,3-dioxo-2-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]isoindoline-5-carboxylate Formula: C16H8N5O4- MolecularWeight: 334.26582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9N5O4/c22-13-10-4-3-8(15(24)25)6-11(10)14(23)21(13)16-18-12(19-20-16)9-2-1-5-17-7-9/h1-7H,(H,24,25)(H,18,19,20)/p-1