4-azanyl-5-chloranyl-2-hex-4-yn-3-yloxy-benzoic acid

Systemtic Name: 4-azanyl-5-chloranyl-2-hex-4-yn-3-yloxy-benzoic acid Openeye Name: 4-amino-5-chloro-2-(1-ethylbut-2-ynoxy)benzoic acid CAS Name: 4-amino-5-chloro-2-hex-4-yn-3-yloxybenzoic acid IUPAC Name: 4-amino-5-chloro-2-hex-4-yn-3-yloxybenzoic acid Traditional Name: 4-amino-5-chloro-2-(1-ethylbut-2-ynoxy)benzoic acid Formula: C13H14ClNO3 MolecularWeight: 267.70816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC)OC1=CC(=C(C=C1C(=O)O)Cl)N

Isomeric SMILES

CCC(C#CC)OC1=CC(=C(C=C1C(=O)O)Cl)N

InChI

InChI=1S/C13H14ClNO3/c1-3-5-8(4-2)18-12-7-11(15)10(14)6-9(12)13(16)17/h6-8H,4,15H2,1-2H3,(H,16,17)