4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(3-nitrophenyl)benzamide

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(3-nitrophenyl)benzamide Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(3-nitrophenyl)benzamide CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitro-N-(3-nitrophenyl)benzamide IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(3-nitrophenyl)benzamide Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(3-nitrophenyl)benzamide Formula: C18H20N5O5+ MolecularWeight: 386.3819

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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=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O5/c1-20-7-9-21(10-8-20)16-6-5-13(11-17(16)23(27)28)18(24)19-14-3-2-4-15(12-14)22(25)26/h2-6,11-12H,7-10H2,1H3,(H,19,24)/p+1