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

Systemtic Name: 2-[[5-(4-dimethylaminophenyl)-4,5-dihydro-1,2-oxazol-3-yl]amino]benzoic acid Openeye Name: 2-[[5-(4-dimethylaminophenyl)-4,5-dihydroisoxazol-3-yl]amino]benzoic acid CAS Name: 2-[[5-(4-dimethylaminophenyl)-4,5-dihydroisoxazol-3-yl]amino]benzoic acid IUPAC Name: 2-[[5-(4-dimethylaminophenyl)-4,5-dihydro-1,2-oxazol-3-yl]amino]benzoic acid Traditional Name: 2-[[5-(4-dimethylaminophenyl)-2-isoxazolin-3-yl]amino]benzoic acid Formula: C18H19N3O3 MolecularWeight: 325.36176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2CC(=NO2)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2CC(=NO2)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H19N3O3/c1-21(2)13-9-7-12(8-10-13)16-11-17(20-24-16)19-15-6-4-3-5-14(15)18(22)23/h3-10,16H,11H2,1-2H3,(H,19,20)(H,22,23)