tert-butyl-[3-[2-[(3-nitrophenyl)amino]ethanoylamino]propyl]azanium

Systemtic Name: tert-butyl-[3-[2-[(3-nitrophenyl)amino]ethanoylamino]propyl]azanium Openeye Name: tert-butyl-[3-[[2-(3-nitroanilino)acetyl]amino]propyl]ammonium CAS Name: tert-butyl-[3-[[2-(3-nitroanilino)-1-oxoethyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[[2-(3-nitroanilino)acetyl]amino]propyl]azanium Traditional Name: tert-butyl-[3-[[2-(3-nitroanilino)acetyl]amino]propyl]ammonium Formula: C15H25N4O3+ MolecularWeight: 309.384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCNC(=O)CNC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)[NH2+]CCCNC(=O)CNC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H24N4O3/c1-15(2,3)18-9-5-8-16-14(20)11-17-12-6-4-7-13(10-12)19(21)22/h4,6-7,10,17-18H,5,8-9,11H2,1-3H3,(H,16,20)/p+1