3-[(4-bromophenyl)methyl]-4-[(2-iodanylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(4-bromophenyl)methyl]-4-[(2-iodanylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(4-bromophenyl)methyl]-4-(2-iodoanilino)-4-oxo-butanoic acid CAS Name: 3-[(4-bromophenyl)methyl]-4-(2-iodoanilino)-4-oxobutanoic acid IUPAC Name: 3-[(4-bromophenyl)methyl]-4-(2-iodoanilino)-4-oxobutanoic acid Traditional Name: 3-(4-bromobenzyl)-4-(2-iodoanilino)-4-keto-butyric acid Formula: C17H15BrINO3 MolecularWeight: 488.11437

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C(CC2=CC=C(C=C2)Br)CC(=O)O)I

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C(CC2=CC=C(C=C2)Br)CC(=O)O)I

InChI

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