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

Systemtic Name: ethyl 6-azanyl-4-[4-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-[4-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-[4-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-[4-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-[4-[2-(4-bromo-3-methyl-anilino)-2-keto-ethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C25H24BrN3O5 MolecularWeight: 526.37916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrN3O5/c1-4-32-25(31)22-15(3)34-24(28)19(12-27)23(22)16-5-8-18(9-6-16)33-13-21(30)29-17-7-10-20(26)14(2)11-17/h5-11,23H,4,13,28H2,1-3H3,(H,29,30)