4-nitro-2-[(Z)-[2-(4-pentylphenoxy)ethanoylhydrazinylidene]methyl]phenolate

Systemtic Name: 4-nitro-2-[(Z)-[2-(4-pentylphenoxy)ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 4-nitro-2-[(Z)-[[2-(4-pentylphenoxy)acetyl]hydrazono]methyl]phenolate CAS Name: 4-nitro-2-[(Z)-[[1-oxo-2-(4-pentylphenoxy)ethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 4-nitro-2-[(Z)-[[2-(4-pentylphenoxy)acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 2-[(Z)-[[2-(4-amylphenoxy)acetyl]hydrazono]methyl]-4-nitro-phenolate Formula: C20H22N3O5- MolecularWeight: 384.40578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OCC(=O)N/N=C\C2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H23N3O5/c1-2-3-4-5-15-6-9-18(10-7-15)28-14-20(25)22-21-13-16-12-17(23(26)27)8-11-19(16)24/h6-13,24H,2-5,14H2,1H3,(H,22,25)/p-1/b21-13-