6-[(4-bromanyl-2-nitro-phenyl)amino]hexanoate

Systemtic Name: 6-[(4-bromanyl-2-nitro-phenyl)amino]hexanoate Openeye Name: 6-(4-bromo-2-nitro-anilino)hexanoate CAS Name: 6-(4-bromo-2-nitroanilino)hexanoate IUPAC Name: 6-(4-bromo-2-nitroanilino)hexanoate Traditional Name: 6-(4-bromo-2-nitro-anilino)hexanoate Formula: C12H14BrN2O4- MolecularWeight: 330.15456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)[N+](=O)[O-])NCCCCCC(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Br)[N+](=O)[O-])NCCCCCC(=O)[O-]

InChI

InChI=1S/C12H15BrN2O4/c13-9-5-6-10(11(8-9)15(18)19)14-7-3-1-2-4-12(16)17/h5-6,8,14H,1-4,7H2,(H,16,17)/p-1