2-(2-azanyl-5-chloranyl-pyridin-1-ium-1-yl)-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-(2-azanyl-5-chloranyl-pyridin-1-ium-1-yl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-(2-amino-5-chloro-pyridin-1-ium-1-yl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-(2-amino-5-chloro-1-pyridin-1-iumyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(2-amino-5-chloropyridin-1-ium-1-yl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(2-amino-5-chloro-pyridin-1-ium-1-yl)-5-nitro-isoindoline-1,3-quinone Formula: C13H8ClN4O4+ MolecularWeight: 319.68002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)[N+]3=C(C=CC(=C3)Cl)N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)[N+]3=C(C=CC(=C3)Cl)N

InChI

InChI=1S/C13H7ClN4O4/c14-7-1-4-11(15)16(6-7)17-12(19)9-3-2-8(18(21)22)5-10(9)13(17)20/h1-6,15H/p+1