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

Systemtic Name: 3-[2-[6-ethyl-4-oxidanylidene-3-(4-phenyl-1H-1,2,4-triazol-4-ium-5-yl)chromen-7-yl]oxyethanoylamino]propanoic acid Openeye Name: 3-[[2-[6-ethyl-4-oxo-3-(4-phenyl-1H-1,2,4-triazol-4-ium-5-yl)chromen-7-yl]oxyacetyl]amino]propanoic acid CAS Name: 3-[[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]propanoic acid IUPAC Name: 3-[[2-[6-ethyl-4-oxo-3-(4-phenyl-1H-1,2,4-triazol-4-ium-5-yl)chromen-7-yl]oxyacetyl]amino]propanoic acid Traditional Name: 3-[[2-[6-ethyl-4-keto-3-(4-phenyl-1H-1,2,4-triazol-4-ium-5-yl)chromen-7-yl]oxyacetyl]amino]propionic acid Formula: C24H23N4O6+ MolecularWeight: 463.46262

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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)NCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O6/c1-2-15-10-17-20(11-19(15)34-13-21(29)25-9-8-22(30)31)33-12-18(23(17)32)24-27-26-14-28(24)16-6-4-3-5-7-16/h3-7,10-12,14H,2,8-9,13H2,1H3,(H2,25,29,30,31)/p+1