[4-bromanyl-2-[(E)-[2-(4-butoxyphenoxy)ethanoylhydrazinylidene]methyl]phenyl] 3-methylbenzoate

Systemtic Name: [4-bromanyl-2-[(E)-[2-(4-butoxyphenoxy)ethanoylhydrazinylidene]methyl]phenyl] 3-methylbenzoate Openeye Name: [4-bromo-2-[(E)-[[2-(4-butoxyphenoxy)acetyl]hydrazono]methyl]phenyl] 3-methylbenzoate CAS Name: 3-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] 3-methylbenzoate Traditional Name: 3-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=C3)C

Isomeric SMILES

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

InChI

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