3-[(4-bromophenyl)-propanoyl-amino]propanoate

Systemtic Name: 3-[(4-bromophenyl)-propanoyl-amino]propanoate Openeye Name: 3-(4-bromo-N-propanoyl-anilino)propanoate CAS Name: 3-[4-bromo-N-(1-oxopropyl)anilino]propanoate IUPAC Name: 3-(4-bromo-N-propanoylanilino)propanoate Traditional Name: 3-(4-bromo-N-propionyl-anilino)propionate Formula: C12H13BrNO3- MolecularWeight: 299.14052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CCC(=O)[O-])C1=CC=C(C=C1)Br

Isomeric SMILES

CCC(=O)N(CCC(=O)[O-])C1=CC=C(C=C1)Br

InChI

InChI=1S/C12H14BrNO3/c1-2-11(15)14(8-7-12(16)17)10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,16,17)/p-1