(5-chloranyl-3-ethynyl-2-nitro-phenyl)carbamic acid

Systemtic Name: (5-chloranyl-3-ethynyl-2-nitro-phenyl)carbamic acid Openeye Name: (5-chloro-3-ethynyl-2-nitro-phenyl)carbamic acid CAS Name: (5-chloro-3-ethynyl-2-nitrophenyl)carbamic acid IUPAC Name: (5-chloro-3-ethynyl-2-nitrophenyl)carbamic acid Traditional Name: (5-chloro-3-ethynyl-2-nitro-phenyl)carbamic acid Formula: C9H5ClN2O4 MolecularWeight: 240.6

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H5ClN2O4/c1-2-5-3-6(10)4-7(11-9(13)14)8(5)12(15)16/h1,3-4,11H,(H,13,14)