N-[(E)-1-(4,5-dimethoxy-2-nitro-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-prop-1-en-2-yl]benzamide

Systemtic Name: N-[(E)-1-(4,5-dimethoxy-2-nitro-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-prop-1-en-2-yl]benzamide Openeye Name: N-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)-1-(4-methylpiperazin-4-ium-1-carbonyl)vinyl]benzamide CAS Name: N-[(E)-1-(4,5-dimethoxy-2-nitrophenyl)-3-(4-methyl-1-piperazin-4-iumyl)-3-oxoprop-1-en-2-yl]benzamide IUPAC Name: N-[(E)-1-(4,5-dimethoxy-2-nitrophenyl)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxoprop-1-en-2-yl]benzamide Traditional Name: N-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)-1-(4-methylpiperazin-4-ium-1-carbonyl)vinyl]benzamide Formula: C23H27N4O6+ MolecularWeight: 455.48368

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(=CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)/C(=C\C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H26N4O6/c1-25-9-11-26(12-10-25)23(29)18(24-22(28)16-7-5-4-6-8-16)13-17-14-20(32-2)21(33-3)15-19(17)27(30)31/h4-8,13-15H,9-12H2,1-3H3,(H,24,28)/p+1/b18-13+