2-[[4-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]phenyl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[4-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]phenyl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[4-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]benzoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[4-[[[4-(1-azepanyl)-3-nitrophenyl]-oxomethyl]amino]phenyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[4-[[4-(azepan-1-yl)-3-nitrobenzoyl]amino]benzoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[4-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]benzoyl]amino]ethyl-diethyl-ammonium Formula: C26H36N5O4+ MolecularWeight: 482.59514

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C26H35N5O4/c1-3-29(4-2)18-15-27-25(32)20-9-12-22(13-10-20)28-26(33)21-11-14-23(24(19-21)31(34)35)30-16-7-5-6-8-17-30/h9-14,19H,3-8,15-18H2,1-2H3,(H,27,32)(H,28,33)/p+1