2-chloranyl-N-(3-ethylpent-1-yn-3-yl)-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(3-ethylpent-1-yn-3-yl)-4-nitro-benzamide Openeye Name: 2-chloro-N-(1,1-diethylprop-2-ynyl)-4-nitro-benzamide CAS Name: 2-chloro-N-(3-ethylpent-1-yn-3-yl)-4-nitrobenzamide IUPAC Name: 2-chloro-N-(3-ethylpent-1-yn-3-yl)-4-nitrobenzamide Traditional Name: 2-chloro-N-(1,1-diethylprop-2-ynyl)-4-nitro-benzamide Formula: C14H15ClN2O3 MolecularWeight: 294.7335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN2O3/c1-4-14(5-2,6-3)16-13(18)11-8-7-10(17(19)20)9-12(11)15/h1,7-9H,5-6H2,2-3H3,(H,16,18)