4-(cyclopenta-2,4-dien-1-ylmethyl)-1,2,4-triazole-3,5-dione

Systemtic Name: 4-(cyclopenta-2,4-dien-1-ylmethyl)-1,2,4-triazole-3,5-dione Openeye Name: 4-(cyclopenta-2,4-dien-1-ylmethyl)-1,2,4-triazole-3,5-dione CAS Name: 4-(1-cyclopenta-2,4-dienylmethyl)-1,2,4-triazole-3,5-dione IUPAC Name: 4-(cyclopenta-2,4-dien-1-ylmethyl)-1,2,4-triazole-3,5-dione Traditional Name: 4-(cyclopenta-2,4-dien-1-ylmethyl)-1,2,4-triazole-3,5-quinone Formula: C8H7N3O2 MolecularWeight: 177.16008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C=C1)CN2C(=O)N=NC2=O

Isomeric SMILES

C1=CC(C=C1)CN2C(=O)N=NC2=O

InChI

InChI=1S/C8H7N3O2/c12-7-9-10-8(13)11(7)5-6-3-1-2-4-6/h1-4,6H,5H2