methyl 2-[2-bromanyl-6-ethoxy-4-[[(3-oxidanylidene-3-phenylazanyl-propanoyl)hydrazinylidene]methyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[2-bromanyl-6-ethoxy-4-[[(3-oxidanylidene-3-phenylazanyl-propanoyl)hydrazinylidene]methyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[[(3-anilino-3-oxo-propanoyl)hydrazono]methyl]-2-bromo-6-ethoxy-phenoxy]acetate CAS Name: 2-[4-[[(3-anilino-1,3-dioxopropyl)hydrazinylidene]methyl]-2-bromo-6-ethoxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[(3-anilino-3-oxopropanoyl)hydrazinylidene]methyl]-2-bromo-6-ethoxyphenoxy]acetate Traditional Name: 2-[4-[[(3-anilino-3-keto-propanoyl)hydrazono]methyl]-2-bromo-6-ethoxy-phenoxy]acetic acid methyl ester Formula: C21H22BrN3O6 MolecularWeight: 492.31988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC(=O)CC(=O)NC2=CC=CC=C2)Br)OCC(=O)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=NNC(=O)CC(=O)NC2=CC=CC=C2)Br)OCC(=O)OC

InChI

InChI=1S/C21H22BrN3O6/c1-3-30-17-10-14(9-16(22)21(17)31-13-20(28)29-2)12-23-25-19(27)11-18(26)24-15-7-5-4-6-8-15/h4-10,12H,3,11,13H2,1-2H3,(H,24,26)(H,25,27)