ethyl 6-azanyl-4-(3-bromanyl-4-methoxy-phenyl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-4-(3-bromanyl-4-methoxy-phenyl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-(3-bromo-4-methoxy-phenyl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate CAS Name: 6-amino-4-(3-bromo-4-methoxyphenyl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-(3-bromo-4-methoxyphenyl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(3-bromo-4-methoxy-phenyl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylic acid ethyl ester Formula: C17H16BrClN2O4 MolecularWeight: 427.67694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)OC)Br)C#N)N)CCl

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)OC)Br)C#N)N)CCl

InChI

InChI=1S/C17H16BrClN2O4/c1-3-24-17(22)15-13(7-19)25-16(21)10(8-20)14(15)9-4-5-12(23-2)11(18)6-9/h4-6,14H,3,7,21H2,1-2H3