2-[3,5-bis(oxidanylidene)-1,2,4-triazinan-6-yl]benzoic acid

Systemtic Name: 2-[3,5-bis(oxidanylidene)-1,2,4-triazinan-6-yl]benzoic acid Openeye Name: 2-(3,5-dioxo-1,2,4-triazinan-6-yl)benzoic acid CAS Name: 2-(3,5-dioxo-1,2,4-triazinan-6-yl)benzoic acid IUPAC Name: 2-(3,5-dioxo-1,2,4-triazinan-6-yl)benzoic acid Traditional Name: 2-(3,5-diketo-1,2,4-triazinan-6-yl)benzoic acid Formula: C10H9N3O4 MolecularWeight: 235.19616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2C(=O)NC(=O)NN2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2C(=O)NC(=O)NN2)C(=O)O

InChI

InChI=1S/C10H9N3O4/c14-8-7(12-13-10(17)11-8)5-3-1-2-4-6(5)9(15)16/h1-4,7,12H,(H,15,16)(H2,11,13,14,17)