(3-ethynyl-2-nitro-5-thiomorpholin-4-yl-phenyl)carbamic acid

Systemtic Name: (3-ethynyl-2-nitro-5-thiomorpholin-4-yl-phenyl)carbamic acid Openeye Name: (3-ethynyl-2-nitro-5-thiomorpholino-phenyl)carbamic acid CAS Name: (3-ethynyl-2-nitro-5-thiomorpholin-4-ylphenyl)carbamic acid IUPAC Name: (3-ethynyl-2-nitro-5-thiomorpholin-4-ylphenyl)carbamic acid Traditional Name: (3-ethynyl-2-nitro-5-thiomorpholino-phenyl)carbamic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC(=C1[N+](=O)[O-])NC(=O)O)N2CCSCC2

Isomeric SMILES

C#CC1=CC(=CC(=C1[N+](=O)[O-])NC(=O)O)N2CCSCC2

InChI

InChI=1S/C13H13N3O4S/c1-2-9-7-10(15-3-5-21-6-4-15)8-11(14-13(17)18)12(9)16(19)20/h1,7-8,14H,3-6H2,(H,17,18)