1-[(2R)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: 1-[(2R)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: 1-[(1R)-1-[(2,5-dimethylphenyl)carbamoyl]propyl]triazole-4,5-dicarboxylate CAS Name: 1-[(2R)-1-(2,5-dimethylanilino)-1-oxobutan-2-yl]triazole-4,5-dicarboxylate IUPAC Name: 1-[(2R)-1-(2,5-dimethylanilino)-1-oxobutan-2-yl]triazole-4,5-dicarboxylate Traditional Name: 1-[(1R)-1-[(2,5-dimethylphenyl)carbamoyl]propyl]triazole-4,5-dicarboxylate Formula: C16H16N4O5-2 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C)C)N2C(=C(N=N2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC[C@H](C(=O)NC1=C(C=CC(=C1)C)C)N2C(=C(N=N2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H18N4O5/c1-4-11(14(21)17-10-7-8(2)5-6-9(10)3)20-13(16(24)25)12(15(22)23)18-19-20/h5-7,11H,4H2,1-3H3,(H,17,21)(H,22,23)(H,24,25)/p-2/t11-/m1/s1