2-[[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]amino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]amino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[2-(2-chloro-5-nitroanilino)-2-oxoethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[2-(2-chloro-5-nitroanilino)-2-oxoethyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[2-(2-chloro-5-nitro-anilino)-2-keto-ethyl]amino]ethyl-diisopropyl-ammonium Formula: C16H26ClN4O3+ MolecularWeight: 357.85564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(C)C

InChI

InChI=1S/C16H25ClN4O3/c1-11(2)20(12(3)4)8-7-18-10-16(22)19-15-9-13(21(23)24)5-6-14(15)17/h5-6,9,11-12,18H,7-8,10H2,1-4H3,(H,19,22)/p+1