methyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2,3-dihydro-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: methyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2,3-dihydro-1H-1,2,4-triazole-5-carboxylate Openeye Name: methyl 3-(1,3-dioxoisoindolin-2-yl)-2,3-dihydro-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-(1,3-dioxo-2-isoindolyl)-2,3-dihydro-1H-1,2,4-triazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-dioxoisoindol-2-yl)-2,3-dihydro-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-phthalimido-2,3-dihydro-1H-1,2,4-triazole-5-carboxylic acid methyl ester Formula: C12H10N4O4 MolecularWeight: 274.2322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(NN1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=NC(NN1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C12H10N4O4/c1-20-11(19)8-13-12(15-14-8)16-9(17)6-4-2-3-5-7(6)10(16)18/h2-5,12,15H,1H3,(H,13,14)