2-[[2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]phenyl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]phenyl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[2-[(2-chloro-4-nitro-benzoyl)amino]benzoyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[2-[(2-chloro-4-nitrobenzoyl)amino]benzoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[2-[(2-chloro-4-nitro-benzoyl)amino]benzoyl]amino]ethyl-diisopropyl-ammonium Formula: C22H28ClN4O4+ MolecularWeight: 447.93512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(C)C

InChI

InChI=1S/C22H27ClN4O4/c1-14(2)26(15(3)4)12-11-24-21(28)18-7-5-6-8-20(18)25-22(29)17-10-9-16(27(30)31)13-19(17)23/h5-10,13-15H,11-12H2,1-4H3,(H,24,28)(H,25,29)/p+1