5-methyl-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-2-(4-nitrophenyl)pyrazol-3-olate

Systemtic Name: 5-methyl-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-2-(4-nitrophenyl)pyrazol-3-olate Openeye Name: 5-methyl-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-2-(4-nitrophenyl)pyrazol-3-olate CAS Name: 5-methyl-4-[(Z)-(4-methyl-1-piperazin-4-iumyl)iminomethyl]-2-(4-nitrophenyl)-3-pyrazololate IUPAC Name: 5-methyl-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-2-(4-nitrophenyl)pyrazol-3-olate Traditional Name: 5-methyl-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-2-(4-nitrophenyl)pyrazol-3-olate Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NN2CC[NH+](CC2)C)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=C1/C=N\N2CC[NH+](CC2)C)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O3/c1-12-15(11-17-20-9-7-19(2)8-10-20)16(23)21(18-12)13-3-5-14(6-4-13)22(24)25/h3-6,11,23H,7-10H2,1-2H3/b17-11-