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

Systemtic Name: [4-bromanyl-2-[(E)-(hexadecanoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate Openeye Name: [4-bromo-2-[(E)-(hexadecanoylhydrazono)methyl]phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-bromo-2-[(E)-(1-oxohexadecylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(hexadecanoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-bromo-2-[(E)-(hexadecanoylhydrazono)methyl]phenyl] ester Formula: C31H43BrN2O3 MolecularWeight: 571.58872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NN=CC1=C(C=CC(=C1)Br)OC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N/N=C/C1=C(C=CC(=C1)Br)OC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C31H43BrN2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30(35)34-33-24-26-23-27(32)21-22-29(26)37-31(36)28-19-17-16-18-25(28)2/h16-19,21-24H,3-15,20H2,1-2H3,(H,34,35)/b33-24+