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

Systemtic Name: methyl 2-[[4-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]carbonylamino]phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoyl]amino]benzoyl]amino]acetate CAS Name: 2-[[[4-[[[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]-oxomethyl]amino]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzoyl]amino]benzoyl]amino]acetate Traditional Name: 2-[[4-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoyl]amino]benzoyl]amino]acetic acid methyl ester Formula: C22H26N5O6+ MolecularWeight: 456.47174

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)NCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)NCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O6/c1-25-9-11-26(12-10-25)18-8-5-16(13-19(18)27(31)32)22(30)24-17-6-3-15(4-7-17)21(29)23-14-20(28)33-2/h3-8,13H,9-12,14H2,1-2H3,(H,23,29)(H,24,30)/p+1