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

Systemtic Name: 2-[[5-(4-dimethylaminophenyl)-4,5-dihydro-1,2-oxazol-3-yl]amino]-5-iodanyl-benzoic acid Openeye Name: 2-[[5-(4-dimethylaminophenyl)-4,5-dihydroisoxazol-3-yl]amino]-5-iodo-benzoic acid CAS Name: 2-[[5-(4-dimethylaminophenyl)-4,5-dihydroisoxazol-3-yl]amino]-5-iodobenzoic acid IUPAC Name: 2-[[5-(4-dimethylaminophenyl)-4,5-dihydro-1,2-oxazol-3-yl]amino]-5-iodobenzoic acid Traditional Name: 2-[[5-(4-dimethylaminophenyl)-2-isoxazolin-3-yl]amino]-5-iodo-benzoic acid Formula: C18H18IN3O3 MolecularWeight: 451.25829

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2CC(=NO2)NC3=C(C=C(C=C3)I)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2CC(=NO2)NC3=C(C=C(C=C3)I)C(=O)O

InChI

InChI=1S/C18H18IN3O3/c1-22(2)13-6-3-11(4-7-13)16-10-17(21-25-16)20-15-8-5-12(19)9-14(15)18(23)24/h3-9,16H,10H2,1-2H3,(H,20,21)(H,23,24)