[4-[(E)-2-(8-acetyloxyquinolin-2-yl)ethenyl]-2-ethoxy-3-nitro-phenyl] ethanoate

Systemtic Name: [4-[(E)-2-(8-acetyloxyquinolin-2-yl)ethenyl]-2-ethoxy-3-nitro-phenyl] ethanoate Openeye Name: [4-[(E)-2-(8-acetoxy-2-quinolyl)vinyl]-2-ethoxy-3-nitro-phenyl] acetate CAS Name: acetic acid [4-[(E)-2-(8-acetyloxy-2-quinolinyl)ethenyl]-2-ethoxy-3-nitrophenyl] ester IUPAC Name: [4-[(E)-2-(8-acetyloxyquinolin-2-yl)ethenyl]-2-ethoxy-3-nitrophenyl] acetate Traditional Name: acetic acid [4-[(E)-2-(8-acetoxy-2-quinolyl)vinyl]-2-ethoxy-3-nitro-phenyl] ester Formula: C23H20N2O7 MolecularWeight: 436.4141

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1[N+](=O)[O-])C=CC2=NC3=C(C=CC=C3OC(=O)C)C=C2)OC(=O)C

Isomeric SMILES

CCOC1=C(C=CC(=C1[N+](=O)[O-])/C=C/C2=NC3=C(C=CC=C3OC(=O)C)C=C2)OC(=O)C

InChI

InChI=1S/C23H20N2O7/c1-4-30-23-20(32-15(3)27)13-10-17(22(23)25(28)29)9-12-18-11-8-16-6-5-7-19(21(16)24-18)31-14(2)26/h5-13H,4H2,1-3H3/b12-9+