3-(5-chloranyl-4,6-dimethyl-1,2-benzoxazol-3-yl)propanoic acid

Systemtic Name: 3-(5-chloranyl-4,6-dimethyl-1,2-benzoxazol-3-yl)propanoic acid Openeye Name: 3-(5-chloro-4,6-dimethyl-1,2-benzoxazol-3-yl)propanoic acid CAS Name: 3-(5-chloro-4,6-dimethyl-1,2-benzoxazol-3-yl)propanoic acid IUPAC Name: 3-(5-chloro-4,6-dimethyl-1,2-benzoxazol-3-yl)propanoic acid Traditional Name: 3-(5-chloro-4,6-dimethyl-indoxazen-3-yl)propionic acid Formula: C12H12ClNO3 MolecularWeight: 253.68158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1Cl)C)C(=NO2)CCC(=O)O

Isomeric SMILES

CC1=CC2=C(C(=C1Cl)C)C(=NO2)CCC(=O)O

InChI

InChI=1S/C12H12ClNO3/c1-6-5-9-11(7(2)12(6)13)8(14-17-9)3-4-10(15)16/h5H,3-4H2,1-2H3,(H,15,16)