ethyl 6-ethyl-7-oxidanyl-4-oxidanylidene-3-(4-phenyl-1,2,4-triazol-3-yl)chromene-2-carboxylate

Systemtic Name: ethyl 6-ethyl-7-oxidanyl-4-oxidanylidene-3-(4-phenyl-1,2,4-triazol-3-yl)chromene-2-carboxylate Openeye Name: ethyl 6-ethyl-7-hydroxy-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)chromene-2-carboxylate CAS Name: 6-ethyl-7-hydroxy-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-7-hydroxy-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)chromene-2-carboxylate Traditional Name: 6-ethyl-7-hydroxy-4-keto-3-(4-phenyl-1,2,4-triazol-3-yl)chromene-2-carboxylic acid ethyl ester Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O5/c1-3-13-10-15-17(11-16(13)26)30-20(22(28)29-4-2)18(19(15)27)21-24-23-12-25(21)14-8-6-5-7-9-14/h5-12,26H,3-4H2,1-2H3