3-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(Z)-2-benzamido-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(Z)-2-benzamido-3-(3-nitrophenyl)acryloyl]amino]propyl-dimethyl-ammonium Formula: C21H25N4O4+ MolecularWeight: 397.4476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CCCNC(=O)/C(=C/C1=CC(=CC=C1)[N+](=O)[O-])/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H24N4O4/c1-24(2)13-7-12-22-21(27)19(23-20(26)17-9-4-3-5-10-17)15-16-8-6-11-18(14-16)25(28)29/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,22,27)(H,23,26)/p+1/b19-15-