2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[(3-nitrophenyl)methylidene]azanium

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[(3-nitrophenyl)methylidene]azanium Openeye Name: 2-(tert-butoxycarbonylamino)ethyl-[(3-nitrophenyl)methylene]ammonium CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl-[(3-nitrophenyl)methylidene]ammonium IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[(3-nitrophenyl)methylidene]azanium Traditional Name: 2-(tert-butoxycarbonylamino)ethyl-(3-nitrobenzylidene)ammonium Formula: C14H20N3O4+ MolecularWeight: 294.3263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC[NH+]=CC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCC[NH+]=CC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O4/c1-14(2,3)21-13(18)16-8-7-15-10-11-5-4-6-12(9-11)17(19)20/h4-6,9-10H,7-8H2,1-3H3,(H,16,18)/p+1