3-oxidanyl-4-(1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)cyclohex-2-en-1-one

Systemtic Name: 3-oxidanyl-4-(1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)cyclohex-2-en-1-one Openeye Name: 3-hydroxy-4-(1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)cyclohex-2-en-1-one CAS Name: 3-hydroxy-4-(1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-4-(1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)cyclohex-2-en-1-one Traditional Name: 3-hydroxy-4-(1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)cyclohex-2-en-1-one Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2CC(=O)C=C(C2N3C=NC=N3)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2CC(=O)C=C(C2N3C=NC=N3)O

InChI

InChI=1S/C17H19N3O5/c1-23-14-4-10(5-15(24-2)17(14)25-3)12-6-11(21)7-13(22)16(12)20-9-18-8-19-20/h4-5,7-9,12,16,22H,6H2,1-3H3