tert-butyl-[3-[(2-chloranyl-4-nitro-phenyl)carbonylamino]propyl]azanium

Systemtic Name: tert-butyl-[3-[(2-chloranyl-4-nitro-phenyl)carbonylamino]propyl]azanium Openeye Name: tert-butyl-[3-[(2-chloro-4-nitro-benzoyl)amino]propyl]ammonium CAS Name: tert-butyl-[3-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[(2-chloro-4-nitrobenzoyl)amino]propyl]azanium Traditional Name: tert-butyl-[3-[(2-chloro-4-nitro-benzoyl)amino]propyl]ammonium Formula: C14H21ClN3O3+ MolecularWeight: 314.78784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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