2-[[4-(3-oxidanylidene-4,5-dihydro-2H-1,2,3-triazin-3-ium-6-yl)phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-(3-oxidanylidene-4,5-dihydro-2H-1,2,3-triazin-3-ium-6-yl)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-(3-oxo-4,5-dihydro-2H-triazin-3-ium-6-yl)benzoyl]amino]acetic acid CAS Name: 2-[[oxo-[4-(3-oxo-4,5-dihydro-2H-triazin-3-ium-6-yl)phenyl]methyl]amino]acetic acid IUPAC Name: 2-[[4-(3-oxo-4,5-dihydro-2H-triazin-3-ium-6-yl)benzoyl]amino]acetic acid Traditional Name: 2-[[4-(3-keto-4,5-dihydro-2H-triazin-3-ium-6-yl)benzoyl]amino]acetic acid Formula: C12H13N4O4+ MolecularWeight: 277.25602

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=O)NN=C1C2=CC=C(C=C2)C(=O)NCC(=O)O

Isomeric SMILES

C1C[N+](=O)NN=C1C2=CC=C(C=C2)C(=O)NCC(=O)O

InChI

InChI=1S/C12H12N4O4/c17-11(18)7-13-12(19)9-3-1-8(2-4-9)10-5-6-16(20)15-14-10/h1-4H,5-7H2,(H2-,13,15,17,18,19,20)/p+1