5-oxidanylidene-1,2-dihydro-1,2,4-triazole-3-carboxylic acid hydrate

Systemtic Name: 5-oxidanylidene-1,2-dihydro-1,2,4-triazole-3-carboxylic acid hydrate Openeye Name: 5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxylic acid hydrate CAS Name: 5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxylic acid hydrate IUPAC Name: 5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxylic acid hydrate Traditional Name: 5-keto-1,2-dihydro-1,2,4-triazole-3-carboxylic acid hydrate Formula: C3H5N3O4 MolecularWeight: 147.0895

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Descriptors Computed from Structure

Canonical SMILES:

C1(=NC(=O)NN1)C(=O)O.O

Isomeric SMILES

C1(=NC(=O)NN1)C(=O)O.O

InChI

InChI=1S/C3H3N3O3.H2O/c7-2(8)1-4-3(9)6-5-1;/h(H,7,8)(H2,4,5,6,9);1H2