[2-azanyl-5-(cyanomethyl)-3-ethynyl-phenyl]carbamic acid

Systemtic Name: [2-azanyl-5-(cyanomethyl)-3-ethynyl-phenyl]carbamic acid Openeye Name: [2-amino-5-(cyanomethyl)-3-ethynyl-phenyl]carbamic acid CAS Name: [2-amino-5-(cyanomethyl)-3-ethynylphenyl]carbamic acid IUPAC Name: [2-amino-5-(cyanomethyl)-3-ethynylphenyl]carbamic acid Traditional Name: [2-amino-5-(cyanomethyl)-3-ethynyl-phenyl]carbamic acid Formula: C11H9N3O2 MolecularWeight: 215.20806

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC(=C1N)NC(=O)O)CC#N

Isomeric SMILES

C#CC1=CC(=CC(=C1N)NC(=O)O)CC#N

InChI

InChI=1S/C11H9N3O2/c1-2-8-5-7(3-4-12)6-9(10(8)13)14-11(15)16/h1,5-6,14H,3,13H2,(H,15,16)