(E,2S)-2-azanyl-6-(4-bromophenyl)-4-oxidanylidene-hex-5-enoic acid

Systemtic Name: (E,2S)-2-azanyl-6-(4-bromophenyl)-4-oxidanylidene-hex-5-enoic acid Openeye Name: (E,2S)-2-amino-6-(4-bromophenyl)-4-oxo-hex-5-enoic acid CAS Name: (E,2S)-2-amino-6-(4-bromophenyl)-4-oxo-5-hexenoic acid IUPAC Name: (E,2S)-2-amino-6-(4-bromophenyl)-4-oxohex-5-enoic acid Traditional Name: (E,2S)-2-amino-6-(4-bromophenyl)-4-keto-hex-5-enoic acid Formula: C12H12BrNO3 MolecularWeight: 298.13258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)CC(C(=O)O)N)Br

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)C[C@@H](C(=O)O)N)Br

InChI

InChI=1S/C12H12BrNO3/c13-9-4-1-8(2-5-9)3-6-10(15)7-11(14)12(16)17/h1-6,11H,7,14H2,(H,16,17)/b6-3+/t11-/m0/s1