ethyl 2-[2-azanyl-3-cyano-6-ethoxy-4-(4-fluorophenyl)-5-oxidanylidene-4H-oxepin-7-yl]ethanoate

Systemtic Name: ethyl 2-[2-azanyl-3-cyano-6-ethoxy-4-(4-fluorophenyl)-5-oxidanylidene-4H-oxepin-7-yl]ethanoate Openeye Name: ethyl 2-[2-amino-3-cyano-6-ethoxy-4-(4-fluorophenyl)-5-oxo-4H-oxepin-7-yl]acetate CAS Name: 2-[2-amino-3-cyano-6-ethoxy-4-(4-fluorophenyl)-5-oxo-4H-oxepin-7-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-3-cyano-6-ethoxy-4-(4-fluorophenyl)-5-oxo-4H-oxepin-7-yl]acetate Traditional Name: 2-[2-amino-3-cyano-6-ethoxy-4-(4-fluorophenyl)-5-keto-4H-oxepin-7-yl]acetic acid ethyl ester Formula: C19H19FN2O5 MolecularWeight: 374.362963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(OC(=C(C(C1=O)C2=CC=C(C=C2)F)C#N)N)CC(=O)OCC

Isomeric SMILES

CCOC1=C(OC(=C(C(C1=O)C2=CC=C(C=C2)F)C#N)N)CC(=O)OCC

InChI

InChI=1S/C19H19FN2O5/c1-3-25-15(23)9-14-18(26-4-2)17(24)16(13(10-21)19(22)27-14)11-5-7-12(20)8-6-11/h5-8,16H,3-4,9,22H2,1-2H3