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

Systemtic Name: 4-bromanyl-5-nitro-2-propyl-benzoic acid Openeye Name: 4-bromo-5-nitro-2-propyl-benzoic acid CAS Name: 4-bromo-5-nitro-2-propylbenzoic acid IUPAC Name: 4-bromo-5-nitro-2-propylbenzoic acid Traditional Name: 4-bromo-5-nitro-2-propyl-benzoic acid Formula: C10H10BrNO4 MolecularWeight: 288.0947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Br

Isomeric SMILES

CCCC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Br

InChI

InChI=1S/C10H10BrNO4/c1-2-3-6-4-8(11)9(12(15)16)5-7(6)10(13)14/h4-5H,2-3H2,1H3,(H,13,14)