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

Systemtic Name: 2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-5-nitro-1,2,4-triazole-3-carboxylic acid Openeye Name: 2-(2-morpholino-2-oxo-ethyl)-5-nitro-1,2,4-triazole-3-carboxylic acid CAS Name: 2-[2-(4-morpholinyl)-2-oxoethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid IUPAC Name: 2-(2-morpholin-4-yl-2-oxoethyl)-5-nitro-1,2,4-triazole-3-carboxylic acid Traditional Name: 2-(2-keto-2-morpholino-ethyl)-5-nitro-1,2,4-triazole-3-carboxylic acid Formula: C9H11N5O6 MolecularWeight: 285.21354

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CN2C(=NC(=N2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1COCCN1C(=O)CN2C(=NC(=N2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C9H11N5O6/c15-6(12-1-3-20-4-2-12)5-13-7(8(16)17)10-9(11-13)14(18)19/h1-5H2,(H,16,17)