2-[2-(hydroxymethyl)-4-nitro-phenoxy]-N-prop-2-ynyl-propanamide

Systemtic Name: 2-[2-(hydroxymethyl)-4-nitro-phenoxy]-N-prop-2-ynyl-propanamide Openeye Name: 2-[2-(hydroxymethyl)-4-nitro-phenoxy]-N-prop-2-ynyl-propanamide CAS Name: 2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-prop-2-ynylpropanamide IUPAC Name: 2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-prop-2-ynylpropanamide Traditional Name: 2-(2-methylol-4-nitro-phenoxy)-N-propargyl-propionamide Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)OC1=C(C=C(C=C1)[N+](=O)[O-])CO

Isomeric SMILES

CC(C(=O)NCC#C)OC1=C(C=C(C=C1)[N+](=O)[O-])CO

InChI

InChI=1S/C13H14N2O5/c1-3-6-14-13(17)9(2)20-12-5-4-11(15(18)19)7-10(12)8-16/h1,4-5,7,9,16H,6,8H2,2H3,(H,14,17)