[2-[[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [2-[[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O3/c1-3-25(4-2)15-18-8-6-5-7-17(18)14-23-22(27)16-9-12-20(24-19-10-11-19)21(13-16)26(28)29/h5-9,12-13,19,24H,3-4,10-11,14-15H2,1-2H3,(H,23,27)/p+1