4-bromanyl-2-ethyl-5-nitro-benzoic acid

Systemtic Name: 4-bromanyl-2-ethyl-5-nitro-benzoic acid Openeye Name: 4-bromo-2-ethyl-5-nitro-benzoic acid CAS Name: 4-bromo-2-ethyl-5-nitrobenzoic acid IUPAC Name: 4-bromo-2-ethyl-5-nitrobenzoic acid Traditional Name: 4-bromo-2-ethyl-5-nitro-benzoic acid Formula: C9H8BrNO4 MolecularWeight: 274.06812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Br

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Br

InChI

InChI=1S/C9H8BrNO4/c1-2-5-3-7(10)8(11(14)15)4-6(5)9(12)13/h3-4H,2H2,1H3,(H,12,13)