[2-bromanyl-4-[2-cyano-3-[(2-fluoranyl-5-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-ethoxy-phenyl] ethanoate

Systemtic Name: [2-bromanyl-4-[2-cyano-3-[(2-fluoranyl-5-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-ethoxy-phenyl] ethanoate Openeye Name: [2-bromo-4-[2-cyano-3-(2-fluoro-5-nitro-anilino)-3-oxo-prop-1-enyl]-6-ethoxy-phenyl] acetate CAS Name: acetic acid [2-bromo-4-[2-cyano-3-(2-fluoro-5-nitroanilino)-3-oxoprop-1-enyl]-6-ethoxyphenyl] ester IUPAC Name: [2-bromo-4-[2-cyano-3-(2-fluoro-5-nitroanilino)-3-oxoprop-1-enyl]-6-ethoxyphenyl] acetate Traditional Name: acetic acid [2-bromo-4-[2-cyano-3-(2-fluoro-5-nitro-anilino)-3-keto-prop-1-enyl]-6-ethoxy-phenyl] ester Formula: C20H15BrFN3O6 MolecularWeight: 492.252003

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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)Br)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)Br)OC(=O)C

InChI

InChI=1S/C20H15BrFN3O6/c1-3-30-18-8-12(7-15(21)19(18)31-11(2)26)6-13(10-23)20(27)24-17-9-14(25(28)29)4-5-16(17)22/h4-9H,3H2,1-2H3,(H,24,27)