2-[6-ethyl-4-oxidanylidene-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl]oxyethanoic acid

Systemtic Name: 2-[6-ethyl-4-oxidanylidene-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl]oxyethanoic acid Openeye Name: 2-[6-ethyl-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl]oxyacetic acid CAS Name: 2-[[6-ethyl-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)-1-benzopyran-7-yl]oxy]acetic acid IUPAC Name: 2-[6-ethyl-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl]oxyacetic acid Traditional Name: 2-[6-ethyl-4-keto-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl]oxyacetic acid Formula: C21H17N3O5 MolecularWeight: 391.37678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NN=CN3C4=CC=CC=C4)OCC(=O)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NN=CN3C4=CC=CC=C4)OCC(=O)O

InChI

InChI=1S/C21H17N3O5/c1-2-13-8-15-18(9-17(13)29-11-19(25)26)28-10-16(20(15)27)21-23-22-12-24(21)14-6-4-3-5-7-14/h3-10,12H,2,11H2,1H3,(H,25,26)