4,5-diethyl-1-methyl-1,2,3-triazole; pyridine-2,5-dicarboxylic acid

Systemtic Name: 4,5-diethyl-1-methyl-1,2,3-triazole; pyridine-2,5-dicarboxylic acid Openeye Name: 4,5-diethyl-1-methyl-triazole; pyridine-2,5-dicarboxylic acid CAS Name: 4,5-diethyl-1-methyltriazole; pyridine-2,5-dicarboxylic acid IUPAC Name: 4,5-diethyl-1-methyltriazole; pyridine-2,5-dicarboxylic acid Traditional Name: 4,5-diethyl-1-methyl-triazole; isocinchomeronic acid Formula: C14H18N4O4 MolecularWeight: 306.31712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(N=N1)C)CC.C1=CC(=NC=C1C(=O)O)C(=O)O

Isomeric SMILES

CCC1=C(N(N=N1)C)CC.C1=CC(=NC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C7H13N3.C7H5NO4/c1-4-6-7(5-2)10(3)9-8-6;9-6(10)4-1-2-5(7(11)12)8-3-4/h4-5H2,1-3H3;1-3H,(H,9,10)(H,11,12)