2-(4-bromanyl-2-ethyl-phenyl)-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-(4-bromanyl-2-ethyl-phenyl)-4-nitro-isoindole-1,3-dione Openeye Name: 2-(4-bromo-2-ethyl-phenyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(4-bromo-2-ethylphenyl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(4-bromo-2-ethylphenyl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(4-bromo-2-ethyl-phenyl)-4-nitro-isoindoline-1,3-quinone Formula: C16H11BrN2O4 MolecularWeight: 375.17354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11BrN2O4/c1-2-9-8-10(17)6-7-12(9)18-15(20)11-4-3-5-13(19(22)23)14(11)16(18)21/h3-8H,2H2,1H3