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

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-4-morpholino-3-nitro-benzamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-4-morpholino-3-nitro-benzamide Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O4/c1-4-18(5-2,6-3)19-17(22)14-7-8-15(16(13-14)21(23)24)20-9-11-25-12-10-20/h1,7-8,13H,5-6,9-12H2,2-3H3,(H,19,22)