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

Systemtic Name: 6-[(4-bromanyl-2-nitro-phenyl)amino]hexanoic acid Openeye Name: 6-(4-bromo-2-nitro-anilino)hexanoic acid CAS Name: 6-(4-bromo-2-nitroanilino)hexanoic acid IUPAC Name: 6-(4-bromo-2-nitroanilino)hexanoic acid Traditional Name: 6-(4-bromo-2-nitro-anilino)hexanoic acid Formula: C12H15BrN2O4 MolecularWeight: 331.1625

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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)