2-methylbut-3-yn-2-yl N-(2,4,6-trinitrophenyl)carbonylcarbamate

Systemtic Name: 2-methylbut-3-yn-2-yl N-(2,4,6-trinitrophenyl)carbonylcarbamate Openeye Name: 1,1-dimethylprop-2-ynyl N-(2,4,6-trinitrobenzoyl)carbamate CAS Name: N-[oxo-(2,4,6-trinitrophenyl)methyl]carbamic acid 2-methylbut-3-yn-2-yl ester IUPAC Name: 2-methylbut-3-yn-2-yl N-(2,4,6-trinitrobenzoyl)carbamate Traditional Name: N-(2,4,6-trinitrobenzoyl)carbamic acid 1,1-dimethylprop-2-ynyl ester Formula: C13H10N4O9 MolecularWeight: 366.2399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O9/c1-4-13(2,3)26-12(19)14-11(18)10-8(16(22)23)5-7(15(20)21)6-9(10)17(24)25/h1,5-6H,2-3H3,(H,14,18,19)