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

Systemtic Name: ethyl 4-[2-[2-(3-bromanyl-4-propoxy-phenyl)carbonylhydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: ethyl 4-[2-[2-(3-bromo-4-propoxy-benzoyl)hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[(3-bromo-4-propoxyphenyl)-oxomethyl]hydrazo]-2-oxoethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(3-bromo-4-propoxybenzoyl)hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[N'-(3-bromo-4-propoxy-benzoyl)hydrazino]-2-keto-ethoxy]benzoic acid ethyl ester Formula: C21H23BrN2O6 MolecularWeight: 479.32112

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NNC(=O)COC2=CC=C(C=C2)C(=O)OCC)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NNC(=O)COC2=CC=C(C=C2)C(=O)OCC)Br

InChI

InChI=1S/C21H23BrN2O6/c1-3-11-29-18-10-7-15(12-17(18)22)20(26)24-23-19(25)13-30-16-8-5-14(6-9-16)21(27)28-4-2/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,25)(H,24,26)