benzene; 1,3-dimethylpyrrole-2,5-dione

Systemtic Name: benzene; 1,3-dimethylpyrrole-2,5-dione Openeye Name: benzene; 1,3-dimethylpyrrole-2,5-dione CAS Name: benzene; 1,3-dimethylpyrrole-2,5-dione IUPAC Name: benzene; 1,3-dimethylpyrrole-2,5-dione Traditional Name: benzene; 1,3-dimethyl-3-pyrroline-2,5-quinone Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C1=O)C.C1=CC=CC=C1

Isomeric SMILES

CC1=CC(=O)N(C1=O)C.C1=CC=CC=C1

InChI

InChI=1S/C6H7NO2.C6H6/c1-4-3-5(8)7(2)6(4)9;1-2-4-6-5-3-1/h3H,1-2H3;1-6H