methyl 2-[4-(2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl)-5-bromanyl-2-methoxy-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-(2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl)-5-bromanyl-2-methoxy-phenoxy]ethanoate Openeye Name: methyl 2-[4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)-5-bromo-2-methoxy-phenoxy]acetate CAS Name: 2-[4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl)-5-bromo-2-methoxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)-5-bromo-2-methoxyphenoxy]acetate Traditional Name: 2-[4-(2-amino-3-cyano-5-keto-4,6,7,8-tetrahydrochromen-4-yl)-5-bromo-2-methoxy-phenoxy]acetic acid methyl ester Formula: C20H19BrN2O6 MolecularWeight: 463.27866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)Br)OCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)Br)OCC(=O)OC

InChI

InChI=1S/C20H19BrN2O6/c1-26-15-6-10(12(21)7-16(15)28-9-17(25)27-2)18-11(8-22)20(23)29-14-5-3-4-13(24)19(14)18/h6-7,18H,3-5,9,23H2,1-2H3