methyl 2-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoyl]amino]benzoate CAS Name: 2-[[[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzoyl]amino]benzoate Traditional Name: 2-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoyl]amino]benzoic acid methyl ester Formula: C20H23N4O5+ MolecularWeight: 399.42042

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5/c1-22-9-11-23(12-10-22)17-8-7-14(13-18(17)24(27)28)19(25)21-16-6-4-3-5-15(16)20(26)29-2/h3-8,13H,9-12H2,1-2H3,(H,21,25)/p+1