4-(3-azanyl-4-bromanyl-phenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3-azanyl-4-bromanyl-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-amino-4-bromo-phenyl)-4-oxo-butanoic acid CAS Name: 4-(3-amino-4-bromophenyl)-4-oxobutanoic acid IUPAC Name: 4-(3-amino-4-bromophenyl)-4-oxobutanoic acid Traditional Name: 4-(3-amino-4-bromo-phenyl)-4-keto-butyric acid Formula: C10H10BrNO3 MolecularWeight: 272.0953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10BrNO3/c11-7-2-1-6(5-8(7)12)9(13)3-4-10(14)15/h1-2,5H,3-4,12H2,(H,14,15)