4-azanyl-5-chloranyl-2-pent-3-yn-2-yloxy-benzoate

Systemtic Name: 4-azanyl-5-chloranyl-2-pent-3-yn-2-yloxy-benzoate Openeye Name: 4-amino-5-chloro-2-(1-methylbut-2-ynoxy)benzoate CAS Name: 4-amino-5-chloro-2-pent-3-yn-2-yloxybenzoate IUPAC Name: 4-amino-5-chloro-2-pent-3-yn-2-yloxybenzoate Traditional Name: 4-amino-5-chloro-2-(1-methylbut-2-ynoxy)benzoate Formula: C12H11ClNO3- MolecularWeight: 252.67364

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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/h5-7H,14H2,1-2H3,(H,15,16)/p-1