ethyl 4-bromanyl-3-nitro-5-propyl-benzoate

Systemtic Name: ethyl 4-bromanyl-3-nitro-5-propyl-benzoate Openeye Name: ethyl 4-bromo-3-nitro-5-propyl-benzoate CAS Name: 4-bromo-3-nitro-5-propylbenzoic acid ethyl ester IUPAC Name: ethyl 4-bromo-3-nitro-5-propylbenzoate Traditional Name: 4-bromo-3-nitro-5-propyl-benzoic acid ethyl ester Formula: C12H14BrNO4 MolecularWeight: 316.14786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)C(=O)OCC)[N+](=O)[O-])Br

Isomeric SMILES

CCCC1=C(C(=CC(=C1)C(=O)OCC)[N+](=O)[O-])Br

InChI

InChI=1S/C12H14BrNO4/c1-3-5-8-6-9(12(15)18-4-2)7-10(11(8)13)14(16)17/h6-7H,3-5H2,1-2H3