[4-[[(4-ethoxy-3-nitro-phenyl)carbonylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[(4-ethoxy-3-nitro-phenyl)carbonylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[(4-ethoxy-3-nitro-benzoyl)amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[(4-ethoxy-3-nitrobenzoyl)amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[(4-ethoxy-3-nitro-benzoyl)amino]methyl]benzyl]-diethyl-ammonium Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O4/c1-4-23(5-2)15-17-9-7-16(8-10-17)14-22-21(25)18-11-12-20(28-6-3)19(13-18)24(26)27/h7-13H,4-6,14-15H2,1-3H3,(H,22,25)/p+1