4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-2-nitro-phenolate

Systemtic Name: 4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-2-nitro-phenolate CAS Name: 4-[(Z)-(4-methyl-1-piperazin-4-iumyl)iminomethyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-2-nitrophenolate Traditional Name: 4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-2-nitro-phenolate Formula: C12H16N4O3 MolecularWeight: 264.28044

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O3/c1-14-4-6-15(7-5-14)13-9-10-2-3-12(17)11(8-10)16(18)19/h2-3,8-9,17H,4-7H2,1H3/b13-9-