[(E)-3-(3,4-dimethoxyphenyl)-2-nitro-prop-2-enyl] ethanoate

Systemtic Name: [(E)-3-(3,4-dimethoxyphenyl)-2-nitro-prop-2-enyl] ethanoate Openeye Name: [(E)-3-(3,4-dimethoxyphenyl)-2-nitro-allyl] acetate CAS Name: acetic acid [(E)-3-(3,4-dimethoxyphenyl)-2-nitroprop-2-enyl] ester IUPAC Name: [(E)-3-(3,4-dimethoxyphenyl)-2-nitroprop-2-enyl] acetate Traditional Name: acetic acid [(E)-3-(3,4-dimethoxyphenyl)-2-nitro-allyl] ester Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)OC/C(=C\C1=CC(=C(C=C1)OC)OC)/[N+](=O)[O-]

InChI

InChI=1S/C13H15NO6/c1-9(15)20-8-11(14(16)17)6-10-4-5-12(18-2)13(7-10)19-3/h4-7H,8H2,1-3H3/b11-6+