2-(2-azanylidenepyrrolidin-1-yl)-1-(4-nitrophenyl)ethanone bromide

Systemtic Name: 2-(2-azanylidenepyrrolidin-1-yl)-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-(2-iminopyrrolidin-1-yl)-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-(2-imino-1-pyrrolidinyl)-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-(2-iminopyrrolidin-1-yl)-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-(2-iminopyrrolidino)-1-(4-nitrophenyl)ethanone bromide Formula: C12H13BrN3O3- MolecularWeight: 327.15392

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=N)N(C1)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1CC(=N)N(C1)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C12H13N3O3.BrH/c13-12-2-1-7-14(12)8-11(16)9-3-5-10(6-4-9)15(17)18;/h3-6,13H,1-2,7-8H2;1H/p-1