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

Systemtic Name: propyl 4-[2-[2-(3-bromanyl-4-propoxy-phenyl)carbonylhydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C22H25BrN2O6 MolecularWeight: 493.3477

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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)OCCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O6/c1-3-11-29-19-10-7-16(13-18(19)23)21(27)25-24-20(26)14-31-17-8-5-15(6-9-17)22(28)30-12-4-2/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,26)(H,25,27)