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

Systemtic Name: 2-[[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azaniumyl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl]ammonio]ethyl-diisopropyl-ammonium CAS Name: 2-[[2-(2-chloro-5-nitroanilino)-2-oxoethyl]ammonio]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[2-(2-chloro-5-nitroanilino)-2-oxoethyl]azaniumyl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[2-(2-chloro-5-nitro-anilino)-2-keto-ethyl]ammonio]ethyl-diisopropyl-ammonium Formula: C16H27ClN4O3+2 MolecularWeight: 358.86358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC[NH2+]CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(C)C

Isomeric SMILES

CC(C)[NH+](CC[NH2+]CC(=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+2