1-[(3-methylphenyl)methyl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: 1-[(3-methylphenyl)methyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: 1-(m-tolylmethyl)triazole-4,5-dicarboxylate CAS Name: 1-[(3-methylphenyl)methyl]triazole-4,5-dicarboxylate IUPAC Name: 1-[(3-methylphenyl)methyl]triazole-4,5-dicarboxylate Traditional Name: 1-(3-methylbenzyl)triazole-4,5-dicarboxylate Formula: C12H9N3O4-2 MolecularWeight: 259.21756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=C(N=N2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=C(N=N2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H11N3O4/c1-7-3-2-4-8(5-7)6-15-10(12(18)19)9(11(16)17)13-14-15/h2-5H,6H2,1H3,(H,16,17)(H,18,19)/p-2