[2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]quinolin-4-yl] ethanoate

Systemtic Name: [2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]quinolin-4-yl] ethanoate Openeye Name: [2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)vinyl]-4-quinolyl] acetate CAS Name: acetic acid [2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-4-quinolinyl] ester IUPAC Name: [2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]quinolin-4-yl] acetate Traditional Name: acetic acid [2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)vinyl]-4-quinolyl] ester Formula: C20H14N2O6 MolecularWeight: 378.33496

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=NC2=CC=CC=C21)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC(=O)OC1=CC(=NC2=CC=CC=C21)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C20H14N2O6/c1-12(23)28-18-9-14(21-16-5-3-2-4-15(16)18)7-6-13-8-19-20(27-11-26-19)10-17(13)22(24)25/h2-10H,11H2,1H3/b7-6+