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

Systemtic Name: 2-methyl-N-[(Z)-1-(3-nitrophenyl)-3-oxidanylidene-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]benzamide Openeye Name: 2-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]benzamide CAS Name: 2-methyl-N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-[2-(1-piperazin-4-iumyl)ethylamino]prop-1-en-2-yl]benzamide IUPAC Name: 2-methyl-N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]benzamide Traditional Name: 2-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]benzamide Formula: C23H28N5O4+ MolecularWeight: 438.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCCN3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NCCN3CC[NH2+]CC3

InChI

InChI=1S/C23H27N5O4/c1-17-5-2-3-8-20(17)22(29)26-21(16-18-6-4-7-19(15-18)28(31)32)23(30)25-11-14-27-12-9-24-10-13-27/h2-8,15-16,24H,9-14H2,1H3,(H,25,30)(H,26,29)/p+1/b21-16-