[4-[2-cyano-3-[(2-fluoranyl-5-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] ethanoate

Systemtic Name: [4-[2-cyano-3-[(2-fluoranyl-5-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] ethanoate Openeye Name: [4-[2-cyano-3-(2-fluoro-5-nitro-anilino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] acetate CAS Name: acetic acid [4-[2-cyano-3-(2-fluoro-5-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[2-cyano-3-(2-fluoro-5-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] acetate Traditional Name: acetic acid [4-[2-cyano-3-(2-fluoro-5-nitro-anilino)-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C20H16FN3O6 MolecularWeight: 413.355943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)OC(=O)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)OC(=O)C

InChI

InChI=1S/C20H16FN3O6/c1-3-29-19-9-13(4-7-18(19)30-12(2)25)8-14(11-22)20(26)23-17-10-15(24(27)28)5-6-16(17)21/h4-10H,3H2,1-2H3,(H,23,26)