4-chloranyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanoylamino]benzoic acid Openeye Name: 4-chloro-2-[[2-(3,5-dimethylisoxazol-4-yl)acetyl]amino]benzoic acid CAS Name: 4-chloro-2-[[2-(3,5-dimethyl-4-isoxazolyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoic acid Traditional Name: 4-chloro-2-[[2-(3,5-dimethylisoxazol-4-yl)acetyl]amino]benzoic acid Formula: C14H13ClN2O4 MolecularWeight: 308.71702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)CC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C14H13ClN2O4/c1-7-11(8(2)21-17-7)6-13(18)16-12-5-9(15)3-4-10(12)14(19)20/h3-5H,6H2,1-2H3,(H,16,18)(H,19,20)