diethyl-[[2-[[(3,4,5-trimethoxy-2-nitro-phenyl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[2-[[(3,4,5-trimethoxy-2-nitro-phenyl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[2-[[(3,4,5-trimethoxy-2-nitro-benzoyl)amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[2-[[[oxo-(3,4,5-trimethoxy-2-nitrophenyl)methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[2-[[(3,4,5-trimethoxy-2-nitrobenzoyl)amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[2-[[(3,4,5-trimethoxy-2-nitro-benzoyl)amino]methyl]benzyl]ammonium Formula: C22H30N3O6+ MolecularWeight: 432.4901

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C22H29N3O6/c1-6-24(7-2)14-16-11-9-8-10-15(16)13-23-22(26)17-12-18(29-3)20(30-4)21(31-5)19(17)25(27)28/h8-12H,6-7,13-14H2,1-5H3,(H,23,26)/p+1