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

Systemtic Name: [6-ethyl-2-methyl-4-oxidanylidene-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl] ethanoate Openeye Name: [6-ethyl-2-methyl-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl] acetate CAS Name: acetic acid [6-ethyl-2-methyl-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)-1-benzopyran-7-yl] ester IUPAC Name: [6-ethyl-2-methyl-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl] acetate Traditional Name: acetic acid [6-ethyl-4-keto-2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl] ester Formula: C22H19N3O4 MolecularWeight: 389.40396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=NN=CN3C4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=NN=CN3C4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C22H19N3O4/c1-4-15-10-17-19(11-18(15)29-14(3)26)28-13(2)20(21(17)27)22-24-23-12-25(22)16-8-6-5-7-9-16/h5-12H,4H2,1-3H3