ethyl 4-[5-[2-cyano-3-[(2-fluoranyl-5-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[2-cyano-3-[(2-fluoranyl-5-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[2-cyano-3-(2-fluoro-5-nitro-anilino)-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[2-cyano-3-(2-fluoro-5-nitroanilino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[2-cyano-3-(2-fluoro-5-nitroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[2-cyano-3-(2-fluoro-5-nitro-anilino)-3-keto-prop-1-enyl]-2-furyl]benzoic acid ethyl ester Formula: C23H16FN3O6 MolecularWeight: 449.388043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F

InChI

InChI=1S/C23H16FN3O6/c1-2-32-23(29)15-5-3-14(4-6-15)21-10-8-18(33-21)11-16(13-25)22(28)26-20-12-17(27(30)31)7-9-19(20)24/h3-12H,2H2,1H3,(H,26,28)