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

Systemtic Name: methyl 3-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoyl]amino]-1H-1,2,4-triazole-5-carboxylate Openeye Name: methyl 3-[[2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoyl]amino]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[[2-(1,3-dioxo-2-isoindolyl)-1-oxo-3-phenylpropyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[(3-phenyl-2-phthalimido-propanoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester Formula: C21H17N5O5 MolecularWeight: 419.39018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=NN1)NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C1=NC(=NN1)NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H17N5O5/c1-31-20(30)16-22-21(25-24-16)23-17(27)15(11-12-7-3-2-4-8-12)26-18(28)13-9-5-6-10-14(13)19(26)29/h2-10,15H,11H2,1H3,(H2,22,23,24,25,27)