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

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-4-nitro-3-oxidanyl-benzamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-3-hydroxy-4-nitro-benzamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-3-hydroxy-4-nitrobenzamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-3-hydroxy-4-nitrobenzamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-3-hydroxy-4-nitro-benzamide Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4/c1-4-14(5-2,6-3)15-13(18)10-7-8-11(16(19)20)12(17)9-10/h1,7-9,17H,5-6H2,2-3H3,(H,15,18)