5-bromanyl-2-(butylamino)-3-methyl-benzoic acid

Systemtic Name: 5-bromanyl-2-(butylamino)-3-methyl-benzoic acid Openeye Name: 5-bromo-2-(butylamino)-3-methyl-benzoic acid CAS Name: 5-bromo-2-(butylamino)-3-methylbenzoic acid IUPAC Name: 5-bromo-2-(butylamino)-3-methylbenzoic acid Traditional Name: 5-bromo-2-(butylamino)-3-methyl-benzoic acid Formula: C12H16BrNO2 MolecularWeight: 286.16494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1C(=O)O)Br)C

Isomeric SMILES

CCCCNC1=C(C=C(C=C1C(=O)O)Br)C

InChI

InChI=1S/C12H16BrNO2/c1-3-4-5-14-11-8(2)6-9(13)7-10(11)12(15)16/h6-7,14H,3-5H2,1-2H3,(H,15,16)