2-[2-[6-ethyl-4-oxidanylidene-3-(4-phenyl-1H-1,2,4-triazol-4-ium-5-yl)chromen-7-yl]oxyethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[6-ethyl-4-oxidanylidene-3-(4-phenyl-1H-1,2,4-triazol-4-ium-5-yl)chromen-7-yl]oxyethanoylamino]ethanoic acid Openeye Name: 2-[[2-[6-ethyl-4-oxo-3-(4-phenyl-1H-1,2,4-triazol-4-ium-5-yl)chromen-7-yl]oxyacetyl]amino]acetic acid CAS Name: 2-[[2-[[6-ethyl-4-oxo-3-(4-phenyl-1H-1,2,4-triazol-4-ium-5-yl)-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[6-ethyl-4-oxo-3-(4-phenyl-1H-1,2,4-triazol-4-ium-5-yl)chromen-7-yl]oxyacetyl]amino]acetic acid Traditional Name: 2-[[2-[6-ethyl-4-keto-3-(4-phenyl-1H-1,2,4-triazol-4-ium-5-yl)chromen-7-yl]oxyacetyl]amino]acetic acid Formula: C23H21N4O6+ MolecularWeight: 449.43604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=[N+](C=NN3)C4=CC=CC=C4)OCC(=O)NCC(=O)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=[N+](C=NN3)C4=CC=CC=C4)OCC(=O)NCC(=O)O

InChI

InChI=1S/C23H20N4O6/c1-2-14-8-16-19(9-18(14)33-12-20(28)24-10-21(29)30)32-11-17(22(16)31)23-26-25-13-27(23)15-6-4-3-5-7-15/h3-9,11,13H,2,10,12H2,1H3,(H2,24,28,29,30)/p+1