2-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]-N-prop-2-ynyl-acetamide CAS Name: 2-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]-N-prop-2-ynylacetamide IUPAC Name: 2-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]-N-prop-2-ynylacetamide Traditional Name: 2-(2-methoxy-4-methylol-5-nitro-phenoxy)-N-propargyl-acetamide Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CO)[N+](=O)[O-])OCC(=O)NCC#C

Isomeric SMILES

COC1=C(C=C(C(=C1)CO)[N+](=O)[O-])OCC(=O)NCC#C

InChI

InChI=1S/C13H14N2O6/c1-3-4-14-13(17)8-21-12-6-10(15(18)19)9(7-16)5-11(12)20-2/h1,5-6,16H,4,7-8H2,2H3,(H,14,17)