ethyl 6-azanyl-4-[3-[2-[(4-bromanyl-2-methyl-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-methyl-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-methyl-anilino)-2-oxo-ethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-[3-[2-(4-bromo-2-methylanilino)-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-methylanilino)-2-oxoethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-[3-[2-(4-bromo-2-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(=CC=C2)OCC(=O)NC3=C(C=C(C=C3)Br)C)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)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)16-6-5-7-18(11-16)33-13-21(30)29-20-9-8-17(26)10-14(20)2/h5-11,23H,4,13,28H2,1-3H3,(H,29,30)