1,3-diethyl-1-(4-nitro-3-oxidanyl-phenyl)pyrrol-1-ium-2,5-dione

Systemtic Name: 1,3-diethyl-1-(4-nitro-3-oxidanyl-phenyl)pyrrol-1-ium-2,5-dione Openeye Name: 1,3-diethyl-1-(3-hydroxy-4-nitro-phenyl)pyrrol-1-ium-2,5-dione CAS Name: 1,3-diethyl-1-(3-hydroxy-4-nitrophenyl)pyrrol-1-ium-2,5-dione IUPAC Name: 1,3-diethyl-1-(3-hydroxy-4-nitrophenyl)pyrrol-1-ium-2,5-dione Traditional Name: 1,3-diethyl-1-(3-hydroxy-4-nitro-phenyl)-3-pyrrolin-1-ium-2,5-quinone Formula: C14H15N2O5+ MolecularWeight: 291.2793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)[N+](C1=O)(CC)C2=CC(=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCC1=CC(=O)[N+](C1=O)(CC)C2=CC(=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H14N2O5/c1-3-9-7-13(18)16(4-2,14(9)19)10-5-6-11(15(20)21)12(17)8-10/h5-8H,3-4H2,1-2H3/p+1