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

Systemtic Name: [6-ethyl-4-oxidanylidene-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl] ethanoate Openeye Name: [6-ethyl-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl] acetate CAS Name: acetic acid [6-ethyl-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)-1-benzopyran-7-yl] ester IUPAC Name: [6-ethyl-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl] acetate Traditional Name: acetic acid [6-ethyl-4-keto-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl] ester Formula: C21H17N3O4 MolecularWeight: 375.37738

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)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O4/c1-3-14-9-16-19(10-18(14)28-13(2)25)27-11-17(20(16)26)21-23-22-12-24(21)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3