2-[2-(hydroxymethyl)-4-nitro-phenoxy]-N-propyl-ethanamide

Systemtic Name: 2-[2-(hydroxymethyl)-4-nitro-phenoxy]-N-propyl-ethanamide Openeye Name: 2-[2-(hydroxymethyl)-4-nitro-phenoxy]-N-propyl-acetamide CAS Name: 2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-propylacetamide IUPAC Name: 2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-propylacetamide Traditional Name: 2-(2-methylol-4-nitro-phenoxy)-N-propyl-acetamide Formula: C12H16N2O5 MolecularWeight: 268.26584

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])CO

Isomeric SMILES

CCCNC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])CO

InChI

InChI=1S/C12H16N2O5/c1-2-5-13-12(16)8-19-11-4-3-10(14(17)18)6-9(11)7-15/h3-4,6,15H,2,5,7-8H2,1H3,(H,13,16)