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

Systemtic Name: [2-ethoxy-4-[(E)-2-(8-methoxyquinolin-2-yl)ethenyl]-3-nitro-phenyl] ethanoate Openeye Name: [2-ethoxy-4-[(E)-2-(8-methoxy-2-quinolyl)vinyl]-3-nitro-phenyl] acetate CAS Name: acetic acid [2-ethoxy-4-[(E)-2-(8-methoxy-2-quinolinyl)ethenyl]-3-nitrophenyl] ester IUPAC Name: [2-ethoxy-4-[(E)-2-(8-methoxyquinolin-2-yl)ethenyl]-3-nitrophenyl] acetate Traditional Name: acetic acid [2-ethoxy-4-[(E)-2-(8-methoxy-2-quinolyl)vinyl]-3-nitro-phenyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

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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)C=C2)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O6/c1-4-29-22-19(30-14(2)25)13-10-16(21(22)24(26)27)9-12-17-11-8-15-6-5-7-18(28-3)20(15)23-17/h5-13H,4H2,1-3H3/b12-9+