tert-butyl N-(4-ethynyl-2-nitro-phenyl)carbamate

Systemtic Name: tert-butyl N-(4-ethynyl-2-nitro-phenyl)carbamate Openeye Name: tert-butyl N-(4-ethynyl-2-nitro-phenyl)carbamate CAS Name: N-(4-ethynyl-2-nitrophenyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(4-ethynyl-2-nitrophenyl)carbamate Traditional Name: N-(4-ethynyl-2-nitro-phenyl)carbamic acid tert-butyl ester Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C#C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C#C)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O4/c1-5-9-6-7-10(11(8-9)15(17)18)14-12(16)19-13(2,3)4/h1,6-8H,2-4H3,(H,14,16)