(4E)-4-[azanyl-(3-azanyl-1H-1,2,4-triazol-5-yl)methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-[azanyl-(3-azanyl-1H-1,2,4-triazol-5-yl)methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[amino-(3-amino-1H-1,2,4-triazol-5-yl)methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[amino-(3-amino-1H-1,2,4-triazol-5-yl)methylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[amino-(3-amino-1H-1,2,4-triazol-5-yl)methylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[amino-(3-amino-1H-1,2,4-triazol-5-yl)methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C9H9N5O2 MolecularWeight: 219.20006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=NC(=NN2)N)N)C(=CC1=O)O

Isomeric SMILES

C1=C/C(=C(/C2=NC(=NN2)N)\N)/C(=CC1=O)O

InChI

InChI=1S/C9H9N5O2/c10-7(8-12-9(11)14-13-8)5-2-1-4(15)3-6(5)16/h1-3,16H,10H2,(H3,11,12,13,14)/b7-5+