1-[4,5-dimethoxy-2-(prop-2-enylamino)phenyl]-2-nitro-ethanone

Systemtic Name: 1-[4,5-dimethoxy-2-(prop-2-enylamino)phenyl]-2-nitro-ethanone Openeye Name: 1-[2-(allylamino)-4,5-dimethoxy-phenyl]-2-nitro-ethanone CAS Name: 1-[4,5-dimethoxy-2-(prop-2-enylamino)phenyl]-2-nitroethanone IUPAC Name: 1-[4,5-dimethoxy-2-(prop-2-enylamino)phenyl]-2-nitroethanone Traditional Name: 1-[2-(allylamino)-4,5-dimethoxy-phenyl]-2-nitro-ethanone Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-4-5-14-10-7-13(20-3)12(19-2)6-9(10)11(16)8-15(17)18/h4,6-7,14H,1,5,8H2,2-3H3