[2-[[(3-ethoxycarbonyl-5-nitro-phenyl)carbonylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [2-[[(3-ethoxycarbonyl-5-nitro-phenyl)carbonylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[[(3-ethoxycarbonyl-5-nitro-benzoyl)amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[(3-ethoxycarbonyl-5-nitrophenyl)-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[[(3-ethoxycarbonyl-5-nitrobenzoyl)amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[(3-carbethoxy-5-nitro-benzoyl)amino]methyl]benzyl]-diethyl-ammonium Formula: C22H28N3O5+ MolecularWeight: 414.47482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5/c1-4-24(5-2)15-17-10-8-7-9-16(17)14-23-21(26)18-11-19(22(27)30-6-3)13-20(12-18)25(28)29/h7-13H,4-6,14-15H2,1-3H3,(H,23,26)/p+1