3-nitro-N-[(Z)-1-(3-nitrophenyl)-3-oxidanylidene-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]benzamide

Systemtic Name: 3-nitro-N-[(Z)-1-(3-nitrophenyl)-3-oxidanylidene-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]benzamide Openeye Name: 3-nitro-N-[(Z)-2-(3-nitrophenyl)-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]benzamide CAS Name: 3-nitro-N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-[2-(1-piperazin-4-iumyl)ethylamino]prop-1-en-2-yl]benzamide IUPAC Name: 3-nitro-N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]benzamide Traditional Name: 3-nitro-N-[(Z)-2-(3-nitrophenyl)-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]benzamide Formula: C22H25N6O6+ MolecularWeight: 469.4705

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCNC(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)CCNC(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O6/c29-21(17-4-2-6-19(15-17)28(33)34)25-20(14-16-3-1-5-18(13-16)27(31)32)22(30)24-9-12-26-10-7-23-8-11-26/h1-6,13-15,23H,7-12H2,(H,24,30)(H,25,29)/p+1/b20-14-