4-[[4-(4-bromophenyl)-4-oxidanylidene-but-1-en-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-(4-bromophenyl)-4-oxidanylidene-but-1-en-2-yl]amino]benzoic acid Openeye Name: 4-[[3-(4-bromophenyl)-1-methylene-3-oxo-propyl]amino]benzoic acid CAS Name: 4-[[4-(4-bromophenyl)-4-oxobut-1-en-2-yl]amino]benzoic acid IUPAC Name: 4-[[4-(4-bromophenyl)-4-oxobut-1-en-2-yl]amino]benzoic acid Traditional Name: 4-[1-[2-(4-bromophenyl)-2-keto-ethyl]vinylamino]benzoic acid Formula: C17H14BrNO3 MolecularWeight: 360.20196

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CC(=O)C1=CC=C(C=C1)Br)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C=C(CC(=O)C1=CC=C(C=C1)Br)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H14BrNO3/c1-11(10-16(20)12-2-6-14(18)7-3-12)19-15-8-4-13(5-9-15)17(21)22/h2-9,19H,1,10H2,(H,21,22)