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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-oxidanyl-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-hydroxy-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one CAS Name: 5-(1,3-benzodioxol-5-yl)-3-hydroxy-4-(1,2,4-triazol-1-yl)-1-cyclohex-2-enone IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-hydroxy-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-hydroxy-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one Formula: C15H13N3O4 MolecularWeight: 299.28142

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=CC1=O)O)N2C=NC=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C(C(C(=CC1=O)O)N2C=NC=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C15H13N3O4/c19-10-4-11(9-1-2-13-14(3-9)22-8-21-13)15(12(20)5-10)18-7-16-6-17-18/h1-3,5-7,11,15,20H,4,8H2