2-azanyl-5-bromanyl-3-[3-chloranylpropyl(phenyl)amino]benzoic acid

Systemtic Name: 2-azanyl-5-bromanyl-3-[3-chloranylpropyl(phenyl)amino]benzoic acid Openeye Name: 2-amino-5-bromo-3-[N-(3-chloropropyl)anilino]benzoic acid CAS Name: 2-amino-5-bromo-3-[N-(3-chloropropyl)anilino]benzoic acid IUPAC Name: 2-amino-5-bromo-3-[N-(3-chloropropyl)anilino]benzoic acid Traditional Name: 2-amino-5-bromo-3-[N-(3-chloropropyl)anilino]benzoic acid Formula: C16H16BrClN2O2 MolecularWeight: 383.66744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCCCl)C2=C(C(=CC(=C2)Br)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)N(CCCCl)C2=C(C(=CC(=C2)Br)C(=O)O)N

InChI

InChI=1S/C16H16BrClN2O2/c17-11-9-13(16(21)22)15(19)14(10-11)20(8-4-7-18)12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,19H2,(H,21,22)