N-(2-methylbut-3-yn-2-yl)-4-nitro-benzamide

Systemtic Name: N-(2-methylbut-3-yn-2-yl)-4-nitro-benzamide Openeye Name: N-(1,1-dimethylprop-2-ynyl)-4-nitro-benzamide CAS Name: N-(2-methylbut-3-yn-2-yl)-4-nitrobenzamide IUPAC Name: N-(2-methylbut-3-yn-2-yl)-4-nitrobenzamide Traditional Name: N-(1,1-dimethylprop-2-ynyl)-4-nitro-benzamide Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3/c1-4-12(2,3)13-11(15)9-5-7-10(8-6-9)14(16)17/h1,5-8H,2-3H3,(H,13,15)