2-methyl-4-oxidanyl-3-(4-phenyl-1,2,4-triazol-3-yl)-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 2-methyl-4-oxidanyl-3-(4-phenyl-1,2,4-triazol-3-yl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 4-hydroxy-2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 4-hydroxy-2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 4-hydroxy-2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 4-hydroxy-2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)CC2O1)O)C3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C2CCC(=O)CC2O1)O)C3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C18H17N3O3/c1-11-16(17(23)14-8-7-13(22)9-15(14)24-11)18-20-19-10-21(18)12-5-3-2-4-6-12/h2-6,10,15,23H,7-9H2,1H3