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

Systemtic Name: 2-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]-N-propyl-ethanamide Openeye Name: 2-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]-N-propyl-acetamide CAS Name: 2-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]-N-propylacetamide IUPAC Name: 2-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]-N-propylacetamide Traditional Name: 2-(2-methoxy-4-methylol-5-nitro-phenoxy)-N-propyl-acetamide Formula: C13H18N2O6 MolecularWeight: 298.29182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O6/c1-3-4-14-13(17)8-21-12-6-10(15(18)19)9(7-16)5-11(12)20-2/h5-6,16H,3-4,7-8H2,1-2H3,(H,14,17)