2-(5-azanyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-(5-azanyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone Openeye Name: 2-(5-amino-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone CAS Name: 2-(5-amino-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(5-amino-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone Traditional Name: 2-(2-amino-1-pyrrolin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone Formula: C12H14N3O3+ MolecularWeight: 248.25786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3/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/p+1