3-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-4-oxidanyl-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-4-oxidanyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-4-hydroxy-cyclobut-3-ene-1,2-dione CAS Name: 3-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-4-hydroxycyclobut-3-ene-1,2-dione IUPAC Name: 3-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-4-hydroxycyclobut-3-ene-1,2-dione Traditional Name: 3-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-4-hydroxy-cyclobut-3-ene-1,2-quinone Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C2=C(C(=O)C2=O)O)C

Isomeric SMILES

CCC1=C(NC(=C1C)C2=C(C(=O)C2=O)O)C

InChI

InChI=1S/C12H13NO3/c1-4-7-5(2)9(13-6(7)3)8-10(14)12(16)11(8)15/h13-14H,4H2,1-3H3