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

Systemtic Name: N-[(Z)-1-(3-nitrophenyl)-3-oxidanylidene-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]benzamide Openeye Name: N-[(Z)-2-(3-nitrophenyl)-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]benzamide CAS Name: N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-[2-(1-piperazin-4-iumyl)ethylamino]prop-1-en-2-yl]benzamide IUPAC Name: N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]benzamide Traditional Name: N-[(Z)-2-(3-nitrophenyl)-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)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O4/c28-21(18-6-2-1-3-7-18)25-20(16-17-5-4-8-19(15-17)27(30)31)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/b20-16-