ethyl 2-[2-bromanyl-6-ethoxy-4-[(E)-[(5-nitro-1-benzofuran-2-yl)carbonylhydrazinylidene]methyl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[2-bromanyl-6-ethoxy-4-[(E)-[(5-nitro-1-benzofuran-2-yl)carbonylhydrazinylidene]methyl]phenoxy]ethanoate Openeye Name: ethyl 2-[2-bromo-6-ethoxy-4-[(E)-[(5-nitrobenzofuran-2-carbonyl)hydrazono]methyl]phenoxy]acetate CAS Name: 2-[2-bromo-6-ethoxy-4-[(E)-[[(5-nitro-2-benzofuranyl)-oxomethyl]hydrazinylidene]methyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-bromo-6-ethoxy-4-[(E)-[(5-nitro-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate Traditional Name: 2-[2-bromo-6-ethoxy-4-[(E)-[(5-nitrobenzofuran-2-carbonyl)hydrazono]methyl]phenoxy]acetic acid ethyl ester Formula: C22H20BrN3O8 MolecularWeight: 534.3135

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])Br)OCC(=O)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=N/NC(=O)C2=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])Br)OCC(=O)OCC

InChI

InChI=1S/C22H20BrN3O8/c1-3-31-18-8-13(7-16(23)21(18)33-12-20(27)32-4-2)11-24-25-22(28)19-10-14-9-15(26(29)30)5-6-17(14)34-19/h5-11H,3-4,12H2,1-2H3,(H,25,28)/b24-11+