5-nitro-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 5-nitro-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-nitro-2-[2-oxo-2-(1-piperidyl)ethyl]-1,2,4-triazole-3-carboxylic acid CAS Name: 5-nitro-2-[2-oxo-2-(1-piperidinyl)ethyl]-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-nitro-2-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 2-(2-keto-2-piperidino-ethyl)-5-nitro-1,2,4-triazole-3-carboxylic acid Formula: C10H13N5O5 MolecularWeight: 283.24072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2C(=NC(=N2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CCN(CC1)C(=O)CN2C(=NC(=N2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H13N5O5/c16-7(13-4-2-1-3-5-13)6-14-8(9(17)18)11-10(12-14)15(19)20/h1-6H2,(H,17,18)