2-[[4-(3-chloranylpropylamino)-2-methyl-phenyl]diazenyl]benzoic acid

Systemtic Name: 2-[[4-(3-chloranylpropylamino)-2-methyl-phenyl]diazenyl]benzoic acid Openeye Name: 2-[4-(3-chloropropylamino)-2-methyl-phenyl]azobenzoic acid CAS Name: 2-[4-(3-chloropropylamino)-2-methylphenyl]azobenzoic acid IUPAC Name: 2-[[4-(3-chloropropylamino)-2-methylphenyl]diazenyl]benzoic acid Traditional Name: 2-[4-(3-chloropropylamino)-2-methyl-phenyl]azobenzoic acid Formula: C17H18ClN3O2 MolecularWeight: 331.79672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCCCCl)N=NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NCCCCl)N=NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H18ClN3O2/c1-12-11-13(19-10-4-9-18)7-8-15(12)20-21-16-6-3-2-5-14(16)17(22)23/h2-3,5-8,11,19H,4,9-10H2,1H3,(H,22,23)