4-ethyl-2-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-oxidanidyl-isoindol-2-ium-1,3-dione

Systemtic Name: 4-ethyl-2-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-oxidanidyl-isoindol-2-ium-1,3-dione Openeye Name: 2-(3,4-dihydroxy-5-nitro-phenyl)-4-ethyl-2-oxido-isoindolin-2-ium-1,3-dione CAS Name: 2-(3,4-dihydroxy-5-nitrophenyl)-4-ethyl-2-oxidoisoindol-2-ium-1,3-dione IUPAC Name: 2-(3,4-dihydroxy-5-nitrophenyl)-4-ethyl-2-oxidoisoindol-2-ium-1,3-dione Traditional Name: 2-(3,4-dihydroxy-5-nitro-phenyl)-4-ethyl-2-oxido-isoindolin-2-ium-1,3-quinone Formula: C16H12N2O7 MolecularWeight: 344.27568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1C(=O)[N+](C2=O)(C3=CC(=C(C(=C3)[N+](=O)[O-])O)O)[O-]

Isomeric SMILES

CCC1=CC=CC2=C1C(=O)[N+](C2=O)(C3=CC(=C(C(=C3)[N+](=O)[O-])O)O)[O-]

InChI

InChI=1S/C16H12N2O7/c1-2-8-4-3-5-10-13(8)16(22)18(25,15(10)21)9-6-11(17(23)24)14(20)12(19)7-9/h3-7,19-20H,2H2,1H3