ethyl 6-azanyl-4-[3-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-4-[3-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-[3-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-[3-[2-(4-bromo-2-fluoro-anilino)-2-keto-ethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C24H21BrFN3O5 MolecularWeight: 530.343043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)OCC(=O)NC3=C(C=C(C=C3)Br)F)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)OCC(=O)NC3=C(C=C(C=C3)Br)F)C#N)N)C

InChI

InChI=1S/C24H21BrFN3O5/c1-3-32-24(31)21-13(2)34-23(28)17(11-27)22(21)14-5-4-6-16(9-14)33-12-20(30)29-19-8-7-15(25)10-18(19)26/h4-10,22H,3,12,28H2,1-2H3,(H,29,30)