bis[4-bromanyl-2-[(E)-[(3-methylphenyl)carbonylhydrazinylidene]methyl]phenyl] benzene-1,2-dicarboxylate

Systemtic Name: bis[4-bromanyl-2-[(E)-[(3-methylphenyl)carbonylhydrazinylidene]methyl]phenyl] benzene-1,2-dicarboxylate Openeye Name: bis[4-bromo-2-[(E)-[(3-methylbenzoyl)hydrazono]methyl]phenyl] benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid bis[4-bromo-2-[(E)-[[(3-methylphenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: bis[4-bromo-2-[(E)-[(3-methylbenzoyl)hydrazinylidene]methyl]phenyl] benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid bis[4-bromo-2-[(E)-(m-toluoylhydrazono)methyl]phenyl] ester Formula: C38H28Br2N4O6 MolecularWeight: 796.46012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NN=CC2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3C(=O)OC4=C(C=C(C=C4)Br)C=NNC(=O)C5=CC(=CC=C5)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3C(=O)OC4=C(C=C(C=C4)Br)/C=N/NC(=O)C5=CC(=CC=C5)C

InChI

InChI=1S/C38H28Br2N4O6/c1-23-7-5-9-25(17-23)35(45)43-41-21-27-19-29(39)13-15-33(27)49-37(47)31-11-3-4-12-32(31)38(48)50-34-16-14-30(40)20-28(34)22-42-44-36(46)26-10-6-8-24(2)18-26/h3-22H,1-2H3,(H,43,45)(H,44,46)/b41-21+,42-22+