[3-ethynyl-5-(2-methoxyethoxy)-2-nitro-phenyl]carbamic acid

Systemtic Name: [3-ethynyl-5-(2-methoxyethoxy)-2-nitro-phenyl]carbamic acid Openeye Name: [3-ethynyl-5-(2-methoxyethoxy)-2-nitro-phenyl]carbamic acid CAS Name: [3-ethynyl-5-(2-methoxyethoxy)-2-nitrophenyl]carbamic acid IUPAC Name: [3-ethynyl-5-(2-methoxyethoxy)-2-nitrophenyl]carbamic acid Traditional Name: [3-ethynyl-5-(2-methoxyethoxy)-2-nitro-phenyl]carbamic acid Formula: C12H12N2O6 MolecularWeight: 280.23348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC(=C(C(=C1)C#C)[N+](=O)[O-])NC(=O)O

Isomeric SMILES

COCCOC1=CC(=C(C(=C1)C#C)[N+](=O)[O-])NC(=O)O

InChI

InChI=1S/C12H12N2O6/c1-3-8-6-9(20-5-4-19-2)7-10(13-12(15)16)11(8)14(17)18/h1,6-7,13H,4-5H2,2H3,(H,15,16)