[4-[(E)-[2-(2-bromanyl-4-methoxy-phenoxy)ethanoylhydrazinylidene]methyl]-2-ethoxy-phenyl] 4-nitrobenzoate

Systemtic Name: [4-[(E)-[2-(2-bromanyl-4-methoxy-phenoxy)ethanoylhydrazinylidene]methyl]-2-ethoxy-phenyl] 4-nitrobenzoate Openeye Name: [4-[(E)-[[2-(2-bromo-4-methoxy-phenoxy)acetyl]hydrazono]methyl]-2-ethoxy-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(E)-[[2-(2-bromo-4-methoxyphenoxy)-1-oxoethyl]hydrazinylidene]methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-[[2-(2-bromo-4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(E)-[[2-(2-bromo-4-methoxy-phenoxy)acetyl]hydrazono]methyl]-2-ethoxy-phenyl] ester Formula: C25H22BrN3O8 MolecularWeight: 572.36148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22BrN3O8/c1-3-35-23-12-16(4-10-22(23)37-25(31)17-5-7-18(8-6-17)29(32)33)14-27-28-24(30)15-36-21-11-9-19(34-2)13-20(21)26/h4-14H,3,15H2,1-2H3,(H,28,30)/b27-14+