disodium 2-[2-[1-(2-oxidanidyl-2-oxidanylidene-ethyl)indazol-1-ium-1-yl]ethylamino]ethanoate

Systemtic Name: disodium 2-[2-[1-(2-oxidanidyl-2-oxidanylidene-ethyl)indazol-1-ium-1-yl]ethylamino]ethanoate Openeye Name: disodium 2-[2-[1-(2-oxido-2-oxo-ethyl)indazol-1-ium-1-yl]ethylamino]acetate CAS Name: disodium 2-[2-[1-(2-oxido-2-oxoethyl)-1-indazol-1-iumyl]ethylamino]acetate IUPAC Name: disodium 2-[2-[1-(2-oxido-2-oxoethyl)indazol-1-ium-1-yl]ethylamino]acetate Traditional Name: disodium 2-[2-[1-(2-keto-2-oxido-ethyl)indazol-1-ium-1-yl]ethylamino]acetate Formula: C13H14N3Na2O4+ MolecularWeight: 322.2475

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=N[N+]2(CCNCC(=O)[O-])CC(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=N[N+]2(CCNCC(=O)[O-])CC(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C13H15N3O4.2Na/c17-12(18)8-14-5-6-16(9-13(19)20)11-4-2-1-3-10(11)7-15-16;;/h1-4,7,14H,5-6,8-9H2,(H-,17,18,19,20);;/q;2*+1/p-1