6-[(3-bromophenyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(3-bromophenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(3-bromoanilino)-6-oxo-hexanoic acid CAS Name: 6-(3-bromoanilino)-6-oxohexanoic acid IUPAC Name: 6-(3-bromoanilino)-6-oxohexanoic acid Traditional Name: 6-(3-bromoanilino)-6-keto-hexanoic acid Formula: C12H14BrNO3 MolecularWeight: 300.14846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=O)CCCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=O)CCCCC(=O)O

InChI

InChI=1S/C12H14BrNO3/c13-9-4-3-5-10(8-9)14-11(15)6-1-2-7-12(16)17/h3-5,8H,1-2,6-7H2,(H,14,15)(H,16,17)