(3E)-6-methyl-3-(5-oxidanylidene-1,2,4-triazolidin-3-ylidene)chromene-2,4-dione

Systemtic Name: (3E)-6-methyl-3-(5-oxidanylidene-1,2,4-triazolidin-3-ylidene)chromene-2,4-dione Openeye Name: (3E)-6-methyl-3-(5-oxo-1,2,4-triazolidin-3-ylidene)chromane-2,4-dione CAS Name: (3E)-6-methyl-3-(5-oxo-1,2,4-triazolidin-3-ylidene)-3,4-dihydro-2H-1-benzopyran-2,4-dione IUPAC Name: (3E)-6-methyl-3-(5-oxo-1,2,4-triazolidin-3-ylidene)chromene-2,4-dione Traditional Name: (3E)-3-(5-keto-1,2,4-triazolidin-3-ylidene)-6-methyl-chroman-2,4-quinone Formula: C12H9N3O4 MolecularWeight: 259.21756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)C(=C3NC(=O)NN3)C2=O

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)/C(=C/3\NC(=O)NN3)/C2=O

InChI

InChI=1S/C12H9N3O4/c1-5-2-3-7-6(4-5)9(16)8(11(17)19-7)10-13-12(18)15-14-10/h2-4,14H,1H3,(H2,13,15,18)/b10-8+