1-(3-nitrophenyl)-2-quinoxalin-1-ium-1-yl-ethanone

Systemtic Name: 1-(3-nitrophenyl)-2-quinoxalin-1-ium-1-yl-ethanone Openeye Name: 1-(3-nitrophenyl)-2-quinoxalin-1-ium-1-yl-ethanone CAS Name: 1-(3-nitrophenyl)-2-(1-quinoxalin-1-iumyl)ethanone IUPAC Name: 1-(3-nitrophenyl)-2-quinoxalin-1-ium-1-ylethanone Traditional Name: 1-(3-nitrophenyl)-2-quinoxalin-1-ium-1-yl-ethanone Formula: C16H12N3O3+ MolecularWeight: 294.28478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC=[N+]2CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CC=[N+]2CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N3O3/c20-16(12-4-3-5-13(10-12)19(21)22)11-18-9-8-17-14-6-1-2-7-15(14)18/h1-10H,11H2/q+1