2-(3-methyl-4-nitro-phenoxy)-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-(3-methyl-4-nitro-phenoxy)-N-prop-2-ynyl-ethanamide Openeye Name: 2-(3-methyl-4-nitro-phenoxy)-N-prop-2-ynyl-acetamide CAS Name: 2-(3-methyl-4-nitrophenoxy)-N-prop-2-ynylacetamide IUPAC Name: 2-(3-methyl-4-nitrophenoxy)-N-prop-2-ynylacetamide Traditional Name: 2-(3-methyl-4-nitro-phenoxy)-N-propargyl-acetamide Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NCC#C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NCC#C)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O4/c1-3-6-13-12(15)8-18-10-4-5-11(14(16)17)9(2)7-10/h1,4-5,7H,6,8H2,2H3,(H,13,15)