(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=NN(N=C3C)C4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=NN(N=C3C)C4=CC=CC=C4)O

InChI

InChI=1S/C21H17N3O5/c1-12-17(25)9-8-16-14(10-18(26)29-20(12)16)11-28-21(27)19-13(2)22-24(23-19)15-6-4-3-5-7-15/h3-10,25H,11H2,1-2H3