(2-chloranyl-5-nitro-phenyl)methyl-[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-[2-(cyclohexylcarbamoylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-[2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl]-methylammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylazanium Traditional Name: (2-chloro-5-nitro-benzyl)-[2-(cyclohexylcarbamoylamino)-2-keto-ethyl]-methyl-ammonium Formula: C17H24ClN4O4+ MolecularWeight: 383.84986

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)NC(=O)NC2CCCCC2

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)NC(=O)NC2CCCCC2

InChI

InChI=1S/C17H23ClN4O4/c1-21(10-12-9-14(22(25)26)7-8-15(12)18)11-16(23)20-17(24)19-13-5-3-2-4-6-13/h7-9,13H,2-6,10-11H2,1H3,(H2,19,20,23,24)/p+1