methyl 3-azanyl-4-ethynyl-2-oxidanyl-benzoate

Systemtic Name: methyl 3-azanyl-4-ethynyl-2-oxidanyl-benzoate Openeye Name: methyl 3-amino-4-ethynyl-2-hydroxy-benzoate CAS Name: 3-amino-4-ethynyl-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 3-amino-4-ethynyl-2-hydroxybenzoate Traditional Name: 3-amino-4-ethynyl-2-hydroxy-benzoic acid methyl ester Formula: C10H9NO3 MolecularWeight: 191.18336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C=C1)C#C)N)O

Isomeric SMILES

COC(=O)C1=C(C(=C(C=C1)C#C)N)O

InChI

InChI=1S/C10H9NO3/c1-3-6-4-5-7(10(13)14-2)9(12)8(6)11/h1,4-5,12H,11H2,2H3