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

Systemtic Name: ethyl 6-azanyl-4-[4-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-[4-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethoxy]-3-methoxy-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-[4-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-[4-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-[4-[2-(4-bromo-2-fluoro-anilino)-2-keto-ethoxy]-3-methoxy-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C25H23BrFN3O6 MolecularWeight: 560.369023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrFN3O6/c1-4-34-25(32)22-13(2)36-24(29)16(11-28)23(22)14-5-8-19(20(9-14)33-3)35-12-21(31)30-18-7-6-15(26)10-17(18)27/h5-10,23H,4,12,29H2,1-3H3,(H,30,31)