4-methyl-7-(1H-1,2,4-triazol-5-ylmethoxy)chromen-2-one

Systemtic Name: 4-methyl-7-(1H-1,2,4-triazol-5-ylmethoxy)chromen-2-one Openeye Name: 4-methyl-7-(1H-1,2,4-triazol-5-ylmethoxy)chromen-2-one CAS Name: 4-methyl-7-(1H-1,2,4-triazol-5-ylmethoxy)-1-benzopyran-2-one IUPAC Name: 4-methyl-7-(1H-1,2,4-triazol-5-ylmethoxy)chromen-2-one Traditional Name: 4-methyl-7-(1H-1,2,4-triazol-5-ylmethoxy)coumarin Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=NC=NN3

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=NC=NN3

InChI

InChI=1S/C13H11N3O3/c1-8-4-13(17)19-11-5-9(2-3-10(8)11)18-6-12-14-7-15-16-12/h2-5,7H,6H2,1H3,(H,14,15,16)