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

Systemtic Name: diethyl-[2-[[4-[(3-methyl-4-nitro-phenyl)carbonylamino]phenyl]carbonylamino]ethyl]azanium Openeye Name: diethyl-[2-[[4-[(3-methyl-4-nitro-benzoyl)amino]benzoyl]amino]ethyl]ammonium CAS Name: diethyl-[2-[[[4-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[[4-[(3-methyl-4-nitrobenzoyl)amino]benzoyl]amino]ethyl]azanium Traditional Name: diethyl-[2-[[4-[(3-methyl-4-nitro-benzoyl)amino]benzoyl]amino]ethyl]ammonium Formula: C21H27N4O4+ MolecularWeight: 399.46348

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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)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-4-24(5-2)13-12-22-20(26)16-6-9-18(10-7-16)23-21(27)17-8-11-19(25(28)29)15(3)14-17/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,26)(H,23,27)/p+1