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

Systemtic Name: ethyl 6-azanyl-4-[3-[2-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-[3-[2-(4-bromo-2,6-dimethyl-anilino)-2-oxo-ethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-[3-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-[3-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-[3-[2-(4-bromo-2,6-dimethyl-anilino)-2-keto-ethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C26H26BrN3O5 MolecularWeight: 540.40574

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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=C3C)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=C3C)Br)C)C#N)N)C

InChI

InChI=1S/C26H26BrN3O5/c1-5-33-26(32)22-16(4)35-25(29)20(12-28)23(22)17-7-6-8-19(11-17)34-13-21(31)30-24-14(2)9-18(27)10-15(24)3/h6-11,23H,5,13,29H2,1-4H3,(H,30,31)