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

Systemtic Name: 4-chloranyl-N-(3-ethylpent-1-yn-3-yl)-3-nitro-benzamide Openeye Name: 4-chloro-N-(1,1-diethylprop-2-ynyl)-3-nitro-benzamide CAS Name: 4-chloro-N-(3-ethylpent-1-yn-3-yl)-3-nitrobenzamide IUPAC Name: 4-chloro-N-(3-ethylpent-1-yn-3-yl)-3-nitrobenzamide Traditional Name: 4-chloro-N-(1,1-diethylprop-2-ynyl)-3-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=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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