5-[2-[[4-bromanyl-2-(phenylcarbonyl)phenyl]amino]ethanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[[4-bromanyl-2-(phenylcarbonyl)phenyl]amino]ethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-(2-benzoyl-4-bromo-anilino)acetyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-(2-benzoyl-4-bromoanilino)-1-oxoethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-(2-benzoyl-4-bromoanilino)acetyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[2-(2-benzoyl-4-bromo-anilino)acetyl]amino]-2-hydroxy-benzoic acid Formula: C22H17BrN2O5 MolecularWeight: 469.28478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)NCC(=O)NC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)NCC(=O)NC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C22H17BrN2O5/c23-14-6-8-18(16(10-14)21(28)13-4-2-1-3-5-13)24-12-20(27)25-15-7-9-19(26)17(11-15)22(29)30/h1-11,24,26H,12H2,(H,25,27)(H,29,30)