2-[(5E)-5-(1H-pyrimidin-2-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[(5E)-5-(1H-pyrimidin-2-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[(5E)-5-(1H-pyrimidin-2-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]-1,4-benzoquinone CAS Name: 2-[(5E)-5-(1H-pyrimidin-2-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[(5E)-5-(1H-pyrimidin-2-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[(5E)-5-(1H-pyrimidin-2-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]-p-benzoquinone Formula: C12H9N5O2 MolecularWeight: 255.23216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C2NNC(=N2)C3=CC(=O)C=CC3=O)N=C1

Isomeric SMILES

C1=CN/C(=C/2\NNC(=N2)C3=CC(=O)C=CC3=O)/N=C1

InChI

InChI=1S/C12H9N5O2/c18-7-2-3-9(19)8(6-7)10-15-12(17-16-10)11-13-4-1-5-14-11/h1-6,13,17H,(H,15,16)/b12-11+