2-(diethylamino)-N-(3-ethylpent-1-yn-3-yl)-5-nitro-benzamide

Systemtic Name: 2-(diethylamino)-N-(3-ethylpent-1-yn-3-yl)-5-nitro-benzamide Openeye Name: 2-(diethylamino)-N-(1,1-diethylprop-2-ynyl)-5-nitro-benzamide CAS Name: 2-(diethylamino)-N-(3-ethylpent-1-yn-3-yl)-5-nitrobenzamide IUPAC Name: 2-(diethylamino)-N-(3-ethylpent-1-yn-3-yl)-5-nitrobenzamide Traditional Name: 2-(diethylamino)-N-(1,1-diethylprop-2-ynyl)-5-nitro-benzamide Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3/c1-6-18(7-2,8-3)19-17(22)15-13-14(21(23)24)11-12-16(15)20(9-4)10-5/h1,11-13H,7-10H2,2-5H3,(H,19,22)