5-bromanyl-2-(pentanoylamino)benzoic acid

Systemtic Name: 5-bromanyl-2-(pentanoylamino)benzoic acid Openeye Name: 5-bromo-2-(pentanoylamino)benzoic acid CAS Name: 5-bromo-2-(1-oxopentylamino)benzoic acid IUPAC Name: 5-bromo-2-(pentanoylamino)benzoic acid Traditional Name: 5-bromo-2-(valerylamino)benzoic acid Formula: C12H14BrNO3 MolecularWeight: 300.14846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)Br)C(=O)O

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C12H14BrNO3/c1-2-3-4-11(15)14-10-6-5-8(13)7-9(10)12(16)17/h5-7H,2-4H2,1H3,(H,14,15)(H,16,17)