N-(3-methylpent-1-yn-3-yl)-4-nitro-benzamide

Systemtic Name: N-(3-methylpent-1-yn-3-yl)-4-nitro-benzamide Openeye Name: N-(1-ethyl-1-methyl-prop-2-ynyl)-4-nitro-benzamide CAS Name: N-(3-methylpent-1-yn-3-yl)-4-nitrobenzamide IUPAC Name: N-(3-methylpent-1-yn-3-yl)-4-nitrobenzamide Traditional Name: N-(1-ethyl-1-methyl-prop-2-ynyl)-4-nitro-benzamide Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-4-13(3,5-2)14-12(16)10-6-8-11(9-7-10)15(17)18/h1,6-9H,5H2,2-3H3,(H,14,16)