[(4E)-4-[(4-octylphenyl)hydrazinylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl] 2-methylbutanoate

Systemtic Name: [(4E)-4-[(4-octylphenyl)hydrazinylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl] 2-methylbutanoate Openeye Name: [(4E)-4-[(4-octylphenyl)hydrazono]-3-oxo-cyclohexa-1,5-dien-1-yl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [(4E)-4-[(4-octylphenyl)hydrazinylidene]-3-oxo-1-cyclohexa-1,5-dienyl] ester IUPAC Name: [(4E)-4-[(4-octylphenyl)hydrazinylidene]-3-oxocyclohexa-1,5-dien-1-yl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [(4E)-3-keto-4-[(4-octylphenyl)hydrazono]cyclohexa-1,5-dien-1-yl] ester Formula: C25H34N2O3 MolecularWeight: 410.54906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)NN=C2C=CC(=CC2=O)OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)N/N=C/2\C=CC(=CC2=O)OC(=O)C(C)CC

InChI

InChI=1S/C25H34N2O3/c1-4-6-7-8-9-10-11-20-12-14-21(15-13-20)26-27-23-17-16-22(18-24(23)28)30-25(29)19(3)5-2/h12-19,26H,4-11H2,1-3H3/b27-23+