2-[(4-bromophenyl)methyl]-4-[(4-iodophenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[(4-bromophenyl)methyl]-4-[(4-iodophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[(4-bromophenyl)methyl]-4-(4-iodoanilino)-4-oxo-butanoic acid CAS Name: 2-[(4-bromophenyl)methyl]-4-(4-iodoanilino)-4-oxobutanoic acid IUPAC Name: 2-[(4-bromophenyl)methyl]-4-(4-iodoanilino)-4-oxobutanoic acid Traditional Name: 2-(4-bromobenzyl)-4-(4-iodoanilino)-4-keto-butyric acid Formula: C17H15BrINO3 MolecularWeight: 488.11437

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CC(=O)NC2=CC=C(C=C2)I)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CC(CC(=O)NC2=CC=C(C=C2)I)C(=O)O)Br

InChI

InChI=1S/C17H15BrINO3/c18-13-3-1-11(2-4-13)9-12(17(22)23)10-16(21)20-15-7-5-14(19)6-8-15/h1-8,12H,9-10H2,(H,20,21)(H,22,23)