7-[(4-bromanyl-2-nitro-phenyl)amino]heptanoic acid

Systemtic Name: 7-[(4-bromanyl-2-nitro-phenyl)amino]heptanoic acid Openeye Name: 7-(4-bromo-2-nitro-anilino)heptanoic acid CAS Name: 7-(4-bromo-2-nitroanilino)heptanoic acid IUPAC Name: 7-(4-bromo-2-nitroanilino)heptanoic acid Traditional Name: 7-(4-bromo-2-nitro-anilino)enanthic acid Formula: C13H17BrN2O4 MolecularWeight: 345.18908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrN2O4/c14-10-6-7-11(12(9-10)16(19)20)15-8-4-2-1-3-5-13(17)18/h6-7,9,15H,1-5,8H2,(H,17,18)