2-[5-bromanyl-2-ethoxy-4-[(E)-[(5-nitro-1-benzofuran-2-yl)carbonylhydrazinylidene]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[5-bromanyl-2-ethoxy-4-[(E)-[(5-nitro-1-benzofuran-2-yl)carbonylhydrazinylidene]methyl]phenoxy]ethanoic acid Openeye Name: 2-[5-bromo-2-ethoxy-4-[(E)-[(5-nitrobenzofuran-2-carbonyl)hydrazono]methyl]phenoxy]acetic acid CAS Name: 2-[5-bromo-2-ethoxy-4-[(E)-[[(5-nitro-2-benzofuranyl)-oxomethyl]hydrazinylidene]methyl]phenoxy]acetic acid IUPAC Name: 2-[5-bromo-2-ethoxy-4-[(E)-[(5-nitro-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid Traditional Name: 2-[5-bromo-2-ethoxy-4-[(E)-[(5-nitrobenzofuran-2-carbonyl)hydrazono]methyl]phenoxy]acetic acid Formula: C20H16BrN3O8 MolecularWeight: 506.26034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrN3O8/c1-2-30-16-7-12(14(21)8-17(16)31-10-19(25)26)9-22-23-20(27)18-6-11-5-13(24(28)29)3-4-15(11)32-18/h3-9H,2,10H2,1H3,(H,23,27)(H,25,26)/b22-9+