N-[[3-(4-chlorophenyl)-2-fluoranyl-5-nitro-phenyl]methyl]-2-methyl-propan-2-amine

Systemtic Name: N-[[3-(4-chlorophenyl)-2-fluoranyl-5-nitro-phenyl]methyl]-2-methyl-propan-2-amine Openeye Name: N-[[3-(4-chlorophenyl)-2-fluoro-5-nitro-phenyl]methyl]-2-methyl-propan-2-amine CAS Name: N-[[3-(4-chlorophenyl)-2-fluoro-5-nitrophenyl]methyl]-2-methyl-2-propanamine IUPAC Name: N-[[3-(4-chlorophenyl)-2-fluoro-5-nitrophenyl]methyl]-2-methylpropan-2-amine Traditional Name: tert-butyl-[3-(4-chlorophenyl)-2-fluoro-5-nitro-benzyl]amine Formula: C17H18ClFN2O2 MolecularWeight: 336.788423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC1=C(C(=CC(=C1)[N+](=O)[O-])C2=CC=C(C=C2)Cl)F

Isomeric SMILES

CC(C)(C)NCC1=C(C(=CC(=C1)[N+](=O)[O-])C2=CC=C(C=C2)Cl)F

InChI

InChI=1S/C17H18ClFN2O2/c1-17(2,3)20-10-12-8-14(21(22)23)9-15(16(12)19)11-4-6-13(18)7-5-11/h4-9,20H,10H2,1-3H3