[2-bromanyl-6-[(E)-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylhydrazinylidene]methyl]-4-nitro-phenyl] 4-bromanylbenzoate

Systemtic Name: [2-bromanyl-6-[(E)-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylhydrazinylidene]methyl]-4-nitro-phenyl] 4-bromanylbenzoate Openeye Name: [2-bromo-6-[(E)-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]hydrazono]methyl]-4-nitro-phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-bromo-6-[(E)-[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]hydrazinylidene]methyl]-4-nitrophenyl] ester IUPAC Name: [2-bromo-6-[(E)-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-bromo-6-[(E)-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]hydrazono]methyl]-4-nitro-phenyl] ester Formula: C26H23Br2N3O6 MolecularWeight: 633.28532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN=CC2=CC(=CC(=C2OC(=O)C3=CC=C(C=C3)Br)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N/N=C/C2=CC(=CC(=C2OC(=O)C3=CC=C(C=C3)Br)Br)[N+](=O)[O-]

InChI

InChI=1S/C26H23Br2N3O6/c1-15(2)21-9-4-16(3)10-23(21)36-14-24(32)30-29-13-18-11-20(31(34)35)12-22(28)25(18)37-26(33)17-5-7-19(27)8-6-17/h4-13,15H,14H2,1-3H3,(H,30,32)/b29-13+