4-azanyl-5-chloranyl-2-pent-4-yn-2-yloxy-benzoic acid

Systemtic Name: 4-azanyl-5-chloranyl-2-pent-4-yn-2-yloxy-benzoic acid Openeye Name: 4-amino-5-chloro-2-(1-methylbut-3-ynoxy)benzoic acid CAS Name: 4-amino-5-chloro-2-pent-4-yn-2-yloxybenzoic acid IUPAC Name: 4-amino-5-chloro-2-pent-4-yn-2-yloxybenzoic acid Traditional Name: 4-amino-5-chloro-2-(1-methylbut-3-ynoxy)benzoic acid Formula: C12H12ClNO3 MolecularWeight: 253.68158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClNO3/c1-3-4-7(2)17-11-6-10(14)9(13)5-8(11)12(15)16/h1,5-7H,4,14H2,2H3,(H,15,16)