5-(ethynylamino)-4,8-bis(oxidanylidene)-1,3-diazocane-2-carboxylic acid

Systemtic Name: 5-(ethynylamino)-4,8-bis(oxidanylidene)-1,3-diazocane-2-carboxylic acid Openeye Name: 5-(ethynylamino)-4,8-dioxo-1,3-diazocane-2-carboxylic acid CAS Name: 5-(ethynylamino)-4,8-dioxo-1,3-diazocane-2-carboxylic acid IUPAC Name: 5-(ethynylamino)-4,8-dioxo-1,3-diazocane-2-carboxylic acid Traditional Name: 5-(ethynylamino)-4,8-diketo-1,3-diazocane-2-carboxylic acid Formula: C9H11N3O4 MolecularWeight: 225.20134

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Descriptors Computed from Structure

Canonical SMILES:

C#CNC1CCC(=O)NC(NC1=O)C(=O)O

Isomeric SMILES

C#CNC1CCC(=O)NC(NC1=O)C(=O)O

InChI

InChI=1S/C9H11N3O4/c1-2-10-5-3-4-6(13)11-7(9(15)16)12-8(5)14/h1,5,7,10H,3-4H2,(H,11,13)(H,12,14)(H,15,16)