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

Systemtic Name: (3-ethynyl-5-morpholin-4-yl-2-nitro-phenyl)carbamic acid Openeye Name: (3-ethynyl-5-morpholino-2-nitro-phenyl)carbamic acid CAS Name: [3-ethynyl-5-(4-morpholinyl)-2-nitrophenyl]carbamic acid IUPAC Name: (3-ethynyl-5-morpholin-4-yl-2-nitrophenyl)carbamic acid Traditional Name: (3-ethynyl-5-morpholino-2-nitro-phenyl)carbamic acid Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC(=C1[N+](=O)[O-])NC(=O)O)N2CCOCC2

Isomeric SMILES

C#CC1=CC(=CC(=C1[N+](=O)[O-])NC(=O)O)N2CCOCC2

InChI

InChI=1S/C13H13N3O5/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)