5-iodanyl-2-[[5-phenyl-4-(phenylazanylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]amino]benzoic acid

Systemtic Name: 5-iodanyl-2-[[5-phenyl-4-(phenylazanylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]amino]benzoic acid Openeye Name: 2-[[4-(anilinomethyl)-5-phenyl-4,5-dihydroisoxazol-3-yl]amino]-5-iodo-benzoic acid CAS Name: 2-[[4-(anilinomethyl)-5-phenyl-4,5-dihydroisoxazol-3-yl]amino]-5-iodobenzoic acid IUPAC Name: 2-[[4-(anilinomethyl)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]amino]-5-iodobenzoic acid Traditional Name: 2-[[4-(anilinomethyl)-5-phenyl-2-isoxazolin-3-yl]amino]-5-iodo-benzoic acid Formula: C23H20IN3O3 MolecularWeight: 513.32767

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=NO2)NC3=C(C=C(C=C3)I)C(=O)O)CNC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2C(C(=NO2)NC3=C(C=C(C=C3)I)C(=O)O)CNC4=CC=CC=C4

InChI

InChI=1S/C23H20IN3O3/c24-16-11-12-20(18(13-16)23(28)29)26-22-19(14-25-17-9-5-2-6-10-17)21(30-27-22)15-7-3-1-4-8-15/h1-13,19,21,25H,14H2,(H,26,27)(H,28,29)