5-(diethylazaniumyl)-2-[(E)-[2-(4-nitropyrazol-1-yl)ethanoylhydrazinylidene]methyl]phenolate

Systemtic Name: 5-(diethylazaniumyl)-2-[(E)-[2-(4-nitropyrazol-1-yl)ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 5-(diethylammonio)-2-[(E)-[[2-(4-nitropyrazol-1-yl)acetyl]hydrazono]methyl]phenolate CAS Name: 5-(diethylammonio)-2-[(E)-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 5-(diethylazaniumyl)-2-[(E)-[[2-(4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 5-(diethylammonio)-2-[(E)-[[2-(4-nitropyrazol-1-yl)acetyl]hydrazono]methyl]phenolate Formula: C16H20N6O4 MolecularWeight: 360.3678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1=CC(=C(C=C1)C=NNC(=O)CN2C=C(C=N2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC[NH+](CC)C1=CC(=C(C=C1)/C=N/NC(=O)CN2C=C(C=N2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H20N6O4/c1-3-20(4-2)13-6-5-12(15(23)7-13)8-17-19-16(24)11-21-10-14(9-18-21)22(25)26/h5-10,23H,3-4,11H2,1-2H3,(H,19,24)/b17-8+