[4-bromanyl-2-[(E)-[(4-butoxyphenyl)carbonylhydrazinylidene]methyl]phenyl] 3-methylbenzoate

Systemtic Name: [4-bromanyl-2-[(E)-[(4-butoxyphenyl)carbonylhydrazinylidene]methyl]phenyl] 3-methylbenzoate Openeye Name: [4-bromo-2-[(E)-[(4-butoxybenzoyl)hydrazono]methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-bromo-2-[(E)-[[(4-butoxyphenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(4-butoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-bromo-2-[(E)-[(4-butoxybenzoyl)hydrazono]methyl]phenyl] ester Formula: C26H25BrN2O4 MolecularWeight: 509.3917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25BrN2O4/c1-3-4-14-32-23-11-8-19(9-12-23)25(30)29-28-17-21-16-22(27)10-13-24(21)33-26(31)20-7-5-6-18(2)15-20/h5-13,15-17H,3-4,14H2,1-2H3,(H,29,30)/b28-17+