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

Systemtic Name: 2-[2-(aziridin-1-yl)-2-oxidanylidene-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid Openeye Name: 2-[2-(aziridin-1-yl)-2-oxo-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid CAS Name: 2-[2-(1-aziridinyl)-2-oxoethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid IUPAC Name: 2-[2-(aziridin-1-yl)-2-oxoethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid Traditional Name: 2-(2-ethylenimino-2-keto-ethyl)-5-nitro-1,2,4-triazole-3-carboxylic acid Formula: C7H7N5O5 MolecularWeight: 241.16098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C(=O)CN2C(=NC(=N2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CN1C(=O)CN2C(=NC(=N2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C7H7N5O5/c13-4(10-1-2-10)3-11-5(6(14)15)8-7(9-11)12(16)17/h1-3H2,(H,14,15)