4-[[2-[2-(4-bromophenyl)ethynyl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-[2-(4-bromophenyl)ethynyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[2-(4-bromophenyl)ethynyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[2-[2-(4-bromophenyl)ethynyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[2-[2-(4-bromophenyl)ethynyl]anilino]-4-oxobutanoic acid Traditional Name: 4-[2-[2-(4-bromophenyl)ethynyl]anilino]-4-keto-butyric acid Formula: C18H14BrNO3 MolecularWeight: 372.21266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)Br)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)Br)NC(=O)CCC(=O)O

InChI

InChI=1S/C18H14BrNO3/c19-15-9-6-13(7-10-15)5-8-14-3-1-2-4-16(14)20-17(21)11-12-18(22)23/h1-4,6-7,9-10H,11-12H2,(H,20,21)(H,22,23)