methyl 2-[2-bromanyl-6-methoxy-4-[[(4-oxidanylidene-4-phenylazanyl-butanoyl)hydrazinylidene]methyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[2-bromanyl-6-methoxy-4-[[(4-oxidanylidene-4-phenylazanyl-butanoyl)hydrazinylidene]methyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[[(4-anilino-4-oxo-butanoyl)hydrazono]methyl]-2-bromo-6-methoxy-phenoxy]acetate CAS Name: 2-[4-[[(4-anilino-1,4-dioxobutyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[(4-anilino-4-oxobutanoyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenoxy]acetate Traditional Name: 2-[4-[[(4-anilino-4-keto-butanoyl)hydrazono]methyl]-2-bromo-6-methoxy-phenoxy]acetic acid methyl ester Formula: C21H22BrN3O6 MolecularWeight: 492.31988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=O)CCC(=O)NC2=CC=CC=C2)Br)OCC(=O)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=NNC(=O)CCC(=O)NC2=CC=CC=C2)Br)OCC(=O)OC

InChI

InChI=1S/C21H22BrN3O6/c1-29-17-11-14(10-16(22)21(17)31-13-20(28)30-2)12-23-25-19(27)9-8-18(26)24-15-6-4-3-5-7-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,24,26)(H,25,27)