(3-ethynyl-2-nitro-phenyl)carbamic acid; 3-thia-5-azabicyclo[2.1.0]penta-1,4-diene

Systemtic Name: (3-ethynyl-2-nitro-phenyl)carbamic acid; 3-thia-5-azabicyclo[2.1.0]penta-1,4-diene Openeye Name: (3-ethynyl-2-nitro-phenyl)carbamic acid; 3-thia-5-azabicyclo[2.1.0]penta-1,4-diene CAS Name: (3-ethynyl-2-nitrophenyl)carbamic acid; 3-thia-5-azabicyclo[2.1.0]penta-1,4-diene IUPAC Name: (3-ethynyl-2-nitrophenyl)carbamic acid; 3-thia-5-azabicyclo[2.1.0]penta-1,4-diene Traditional Name: (3-ethynyl-2-nitro-phenyl)carbamic acid; 3-thia-5-azabicyclo[2.1.0]penta-1,4-diene Formula: C12H7N3O4S MolecularWeight: 289.26668

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C(=CC=C1)NC(=O)O)[N+](=O)[O-].C1=C2C(=N2)S1

Isomeric SMILES

C#CC1=C(C(=CC=C1)NC(=O)O)[N+](=O)[O-].C1=C2C(=N2)S1

InChI

InChI=1S/C9H6N2O4.C3HNS/c1-2-6-4-3-5-7(10-9(12)13)8(6)11(14)15;1-2-3(4-2)5-1/h1,3-5,10H,(H,12,13);1H