2-(4-hydroxyphenyl)-2-[(2-oxidanylidene-1,2-diazinan-2-ium-1-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-(4-hydroxyphenyl)-2-[(2-oxidanylidene-1,2-diazinan-2-ium-1-yl)carbonylamino]ethanoic acid Openeye Name: 2-(4-hydroxyphenyl)-2-[(2-oxohexahydropyridazin-2-ium-1-carbonyl)amino]acetic acid CAS Name: 2-(4-hydroxyphenyl)-2-[[oxo-(2-oxo-1-diazinan-2-iumyl)methyl]amino]acetic acid IUPAC Name: 2-(4-hydroxyphenyl)-2-[(2-oxodiazinan-2-ium-1-carbonyl)amino]acetic acid Traditional Name: 2-(4-hydroxyphenyl)-2-[(2-ketohexahydropyridazin-2-ium-1-carbonyl)amino]acetic acid Formula: C13H16N3O5+ MolecularWeight: 294.28324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=O)N(C1)C(=O)NC(C2=CC=C(C=C2)O)C(=O)O

Isomeric SMILES

C1CC[N+](=O)N(C1)C(=O)NC(C2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C13H15N3O5/c17-10-5-3-9(4-6-10)11(12(18)19)14-13(20)15-7-1-2-8-16(15)21/h3-6,11H,1-2,7-8H2,(H2-,14,17,18,19,20)/p+1