tert-butyl-[3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propyl]azanium

Systemtic Name: tert-butyl-[3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propyl]azanium Openeye Name: tert-butyl-[3-[(4-chloro-3-nitro-benzoyl)amino]propyl]ammonium CAS Name: tert-butyl-[3-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[(4-chloro-3-nitrobenzoyl)amino]propyl]azanium Traditional Name: tert-butyl-[3-[(4-chloro-3-nitro-benzoyl)amino]propyl]ammonium Formula: C14H21ClN3O3+ MolecularWeight: 314.78784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3O3/c1-14(2,3)17-8-4-7-16-13(19)10-5-6-11(15)12(9-10)18(20)21/h5-6,9,17H,4,7-8H2,1-3H3,(H,16,19)/p+1