2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-(4-nitrophenyl)ethanone Openeye Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-nitrophenyl)ethanone CAS Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-nitrophenyl)ethanone Traditional Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-nitrophenyl)ethanone Formula: C16H14N3O3+ MolecularWeight: 296.30066

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C16H13N3O3/c17-16-14-4-2-1-3-12(14)9-18(16)10-15(20)11-5-7-13(8-6-11)19(21)22/h1-8,17H,9-10H2/p+1