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

Systemtic Name: ethyl 2-[6-ethyl-4-oxidanylidene-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl]oxyethanoate Openeye Name: ethyl 2-[6-ethyl-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl]oxyacetate CAS Name: 2-[[6-ethyl-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)-1-benzopyran-7-yl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethyl-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl]oxyacetate Traditional Name: 2-[6-ethyl-4-keto-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl]oxyacetic acid ethyl ester Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O5/c1-3-15-10-17-20(11-19(15)31-13-21(27)29-4-2)30-12-18(22(17)28)23-25-24-14-26(23)16-8-6-5-7-9-16/h5-12,14H,3-4,13H2,1-2H3