[4-[(E)-[2-(2-bromanyl-4-nitro-phenoxy)ethanoylhydrazinylidene]methyl]-2-ethoxy-phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(E)-[2-(2-bromanyl-4-nitro-phenoxy)ethanoylhydrazinylidene]methyl]-2-ethoxy-phenyl] thiophene-2-carboxylate Openeye Name: [4-[(E)-[[2-(2-bromo-4-nitro-phenoxy)acetyl]hydrazono]methyl]-2-ethoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(E)-[[2-(2-bromo-4-nitrophenoxy)-1-oxoethyl]hydrazinylidene]methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-[[2-(2-bromo-4-nitrophenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(E)-[[2-(2-bromo-4-nitro-phenoxy)acetyl]hydrazono]methyl]-2-ethoxy-phenyl] ester Formula: C22H18BrN3O7S MolecularWeight: 548.36322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)C3=CC=CS3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)C3=CC=CS3

InChI

InChI=1S/C22H18BrN3O7S/c1-2-31-19-10-14(5-7-18(19)33-22(28)20-4-3-9-34-20)12-24-25-21(27)13-32-17-8-6-15(26(29)30)11-16(17)23/h3-12H,2,13H2,1H3,(H,25,27)/b24-12+