ethyl 8-methyl-7-oxidanyl-4-oxidanylidene-3-(4-phenyl-1,2,4-triazol-3-yl)chromene-2-carboxylate

Systemtic Name: ethyl 8-methyl-7-oxidanyl-4-oxidanylidene-3-(4-phenyl-1,2,4-triazol-3-yl)chromene-2-carboxylate Openeye Name: ethyl 7-hydroxy-8-methyl-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)chromene-2-carboxylate CAS Name: 7-hydroxy-8-methyl-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-hydroxy-8-methyl-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)chromene-2-carboxylate Traditional Name: 7-hydroxy-4-keto-8-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)chromene-2-carboxylic acid ethyl ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C)C3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C)C3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O5/c1-3-28-21(27)19-16(17(26)14-9-10-15(25)12(2)18(14)29-19)20-23-22-11-24(20)13-7-5-4-6-8-13/h4-11,25H,3H2,1-2H3