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

Systemtic Name: methyl 2-[2-(2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl)-4-bromanyl-phenoxy]ethanoate Openeye Name: methyl 2-[2-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)-4-bromo-phenoxy]acetate CAS Name: 2-[2-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl)-4-bromophenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)-4-bromophenoxy]acetate Traditional Name: 2-[2-(2-amino-3-cyano-5-keto-4,6,7,8-tetrahydrochromen-4-yl)-4-bromo-phenoxy]acetic acid methyl ester Formula: C19H17BrN2O5 MolecularWeight: 433.25268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN2O5/c1-25-16(24)9-26-14-6-5-10(20)7-11(14)17-12(8-21)19(22)27-15-4-2-3-13(23)18(15)17/h5-7,17H,2-4,9,22H2,1H3