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

Systemtic Name: 2-(5-carboxylato-1H-1,2,4-triazol-3-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-(5-carboxylato-1H-1,2,4-triazol-3-yl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(5-carboxylato-1H-1,2,4-triazol-3-yl)-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-(5-carboxylato-1H-1,2,4-triazol-3-yl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(5-carboxylato-1H-1,2,4-triazol-3-yl)-1,3-diketo-isoindoline-5-carboxylate Formula: C12H4N4O6-2 MolecularWeight: 300.18336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)[O-])C(=O)N(C2=O)C3=NNC(=N3)C(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1C(=O)[O-])C(=O)N(C2=O)C3=NNC(=N3)C(=O)[O-]

InChI

InChI=1S/C12H6N4O6/c17-8-5-2-1-4(10(19)20)3-6(5)9(18)16(8)12-13-7(11(21)22)14-15-12/h1-3H,(H,19,20)(H,21,22)(H,13,14,15)/p-2