3-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one

Systemtic Name: 3-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one Openeye Name: 3-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one CAS Name: 3-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-1-benzopyran-2-one IUPAC Name: 3-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one Traditional Name: 3-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]coumarin Formula: C18H13N3O3 MolecularWeight: 319.31412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=N2)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=N2)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C18H13N3O3/c1-23-13-8-6-11(7-9-13)16-19-17(21-20-16)14-10-12-4-2-3-5-15(12)24-18(14)22/h2-10H,1H3,(H,19,20,21)