[4-bromanyl-2-[(E)-[2-(4-butoxyphenoxy)ethanoylhydrazinylidene]methyl]phenyl] 2-methylbenzoate

Systemtic Name: [4-bromanyl-2-[(E)-[2-(4-butoxyphenoxy)ethanoylhydrazinylidene]methyl]phenyl] 2-methylbenzoate Openeye Name: [4-bromo-2-[(E)-[[2-(4-butoxyphenoxy)acetyl]hydrazono]methyl]phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-bromo-2-[(E)-[[2-(4-butoxyphenoxy)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-bromo-2-[(E)-[[2-(4-butoxyphenoxy)acetyl]hydrazono]methyl]phenyl] ester Formula: C27H27BrN2O5 MolecularWeight: 539.41768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OCC(=O)NN=CC2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C27H27BrN2O5/c1-3-4-15-33-22-10-12-23(13-11-22)34-18-26(31)30-29-17-20-16-21(28)9-14-25(20)35-27(32)24-8-6-5-7-19(24)2/h5-14,16-17H,3-4,15,18H2,1-2H3,(H,30,31)/b29-17+