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

Systemtic Name: 2-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]ethyl-diethyl-ammonium Formula: C16H25N4O3+ MolecularWeight: 321.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O3/c1-3-19(4-2)10-9-17-16(21)12-5-8-14(18-13-6-7-13)15(11-12)20(22)23/h5,8,11,13,18H,3-4,6-7,9-10H2,1-2H3,(H,17,21)/p+1