1-(4-azanyl-3-bromanyl-5-nitro-phenyl)-2-(tert-butylamino)ethanone

Systemtic Name: 1-(4-azanyl-3-bromanyl-5-nitro-phenyl)-2-(tert-butylamino)ethanone Openeye Name: 1-(4-amino-3-bromo-5-nitro-phenyl)-2-(tert-butylamino)ethanone CAS Name: 1-(4-amino-3-bromo-5-nitrophenyl)-2-(tert-butylamino)ethanone IUPAC Name: 1-(4-amino-3-bromo-5-nitrophenyl)-2-(tert-butylamino)ethanone Traditional Name: 1-(4-amino-3-bromo-5-nitro-phenyl)-2-(tert-butylamino)ethanone Formula: C12H16BrN3O3 MolecularWeight: 330.17774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(=O)C1=CC(=C(C(=C1)Br)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NCC(=O)C1=CC(=C(C(=C1)Br)N)[N+](=O)[O-]

InChI

InChI=1S/C12H16BrN3O3/c1-12(2,3)15-6-10(17)7-4-8(13)11(14)9(5-7)16(18)19/h4-5,15H,6,14H2,1-3H3