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

Systemtic Name: diethyl-[[2-[[(3-methoxycarbonyl-5-nitro-phenyl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[2-[[(3-methoxycarbonyl-5-nitro-benzoyl)amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[2-[[[(3-methoxycarbonyl-5-nitrophenyl)-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[2-[[(3-methoxycarbonyl-5-nitrobenzoyl)amino]methyl]phenyl]methyl]azanium Traditional Name: [2-[[(3-carbomethoxy-5-nitro-benzoyl)amino]methyl]benzyl]-diethyl-ammonium Formula: C21H26N3O5+ MolecularWeight: 400.44824

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-4-23(5-2)14-16-9-7-6-8-15(16)13-22-20(25)17-10-18(21(26)29-3)12-19(11-17)24(27)28/h6-12H,4-5,13-14H2,1-3H3,(H,22,25)/p+1