2-(4-butan-2-ylphenoxy)-N'-[(E)-(5-ethoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]ethanehydrazide

Systemtic Name: 2-(4-butan-2-ylphenoxy)-N'-[(E)-(5-ethoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]ethanehydrazide Openeye Name: N'-[(E)-(5-ethoxy-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-2-(4-sec-butylphenoxy)acetohydrazide CAS Name: 2-(4-butan-2-ylphenoxy)-N'-[(E)-(5-ethoxy-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]acetohydrazide IUPAC Name: 2-(4-butan-2-ylphenoxy)-N'-[(E)-(5-ethoxy-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide Traditional Name: N'-[(E)-(5-ethoxy-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]-2-(4-sec-butylphenoxy)acetohydrazide Formula: C21H25N3O6 MolecularWeight: 415.4397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCC(=O)NNC=C2C=C(C=C(C2=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCC(=O)NN/C=C/2\C=C(C=C(C2=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6/c1-4-14(3)15-6-8-18(9-7-15)30-13-20(25)23-22-12-16-10-17(24(27)28)11-19(21(16)26)29-5-2/h6-12,14,22H,4-5,13H2,1-3H3,(H,23,25)/b16-12+