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

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-3-nitro-benzamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-3-nitro-benzamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-3-nitrobenzamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-3-nitrobenzamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-3-nitro-benzamide Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3/c1-4-14(5-2,6-3)15-13(17)11-8-7-9-12(10-11)16(18)19/h1,7-10H,5-6H2,2-3H3,(H,15,17)