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

Systemtic Name: 3-nitro-N-[(Z)-3-oxidanylidene-1-phenyl-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]benzamide Openeye Name: 3-nitro-N-[(Z)-2-phenyl-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]benzamide CAS Name: 3-nitro-N-[(Z)-3-oxo-1-phenyl-3-[2-(1-piperazin-4-iumyl)ethylamino]prop-1-en-2-yl]benzamide IUPAC Name: 3-nitro-N-[(Z)-3-oxo-1-phenyl-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]benzamide Traditional Name: 3-nitro-N-[(Z)-2-phenyl-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]benzamide Formula: C22H26N5O4+ MolecularWeight: 424.47294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O4/c28-21(18-7-4-8-19(16-18)27(30)31)25-20(15-17-5-2-1-3-6-17)22(29)24-11-14-26-12-9-23-10-13-26/h1-8,15-16,23H,9-14H2,(H,24,29)(H,25,28)/p+1/b20-15-