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

Systemtic Name: [5-(cyanomethyl)-3-ethynyl-2-nitro-phenyl]carbamic acid Openeye Name: [5-(cyanomethyl)-3-ethynyl-2-nitro-phenyl]carbamic acid CAS Name: [5-(cyanomethyl)-3-ethynyl-2-nitrophenyl]carbamic acid IUPAC Name: [5-(cyanomethyl)-3-ethynyl-2-nitrophenyl]carbamic acid Traditional Name: [5-(cyanomethyl)-3-ethynyl-2-nitro-phenyl]carbamic acid Formula: C11H7N3O4 MolecularWeight: 245.19098

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC(=C1[N+](=O)[O-])NC(=O)O)CC#N

Isomeric SMILES

C#CC1=CC(=CC(=C1[N+](=O)[O-])NC(=O)O)CC#N

InChI

InChI=1S/C11H7N3O4/c1-2-8-5-7(3-4-12)6-9(13-11(15)16)10(8)14(17)18/h1,5-6,13H,3H2,(H,15,16)