2-[2-(diethylamino)-2-oxidanylidene-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 2-[2-(diethylamino)-2-oxidanylidene-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid Openeye Name: 2-[2-(diethylamino)-2-oxo-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid CAS Name: 2-[2-(diethylamino)-2-oxoethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid IUPAC Name: 2-[2-(diethylamino)-2-oxoethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid Traditional Name: 2-[2-(diethylamino)-2-keto-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid Formula: C9H13N5O5 MolecularWeight: 271.23002

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1C(=NC(=N1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCN(CC)C(=O)CN1C(=NC(=N1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C9H13N5O5/c1-3-12(4-2)6(15)5-13-7(8(16)17)10-9(11-13)14(18)19/h3-5H2,1-2H3,(H,16,17)