4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoate

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoate Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzoate IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoate Formula: C12H15N3O4 MolecularWeight: 265.2652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4/c1-13-4-6-14(7-5-13)10-3-2-9(12(16)17)8-11(10)15(18)19/h2-3,8H,4-7H2,1H3,(H,16,17)