ethyl 4-[2-[2-(3-bromanyl-4-butoxy-phenyl)carbonylhydrazinyl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: ethyl 4-[2-[2-(3-bromanyl-4-butoxy-phenyl)carbonylhydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: ethyl 4-[2-[2-(3-bromo-4-butoxy-benzoyl)hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[(3-bromo-4-butoxyphenyl)-oxomethyl]hydrazo]-2-oxoethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(3-bromo-4-butoxybenzoyl)hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[N'-(3-bromo-4-butoxy-benzoyl)hydrazino]-2-keto-ethoxy]benzoic acid ethyl ester Formula: C22H25BrN2O6 MolecularWeight: 493.3477

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NNC(=O)COC2=CC=C(C=C2)C(=O)OCC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NNC(=O)COC2=CC=C(C=C2)C(=O)OCC)Br

InChI

InChI=1S/C22H25BrN2O6/c1-3-5-12-30-19-11-8-16(13-18(19)23)21(27)25-24-20(26)14-31-17-9-6-15(7-10-17)22(28)29-4-2/h6-11,13H,3-5,12,14H2,1-2H3,(H,24,26)(H,25,27)