5-[2,5-bis(oxidanylidene)-1-pyridin-2-yl-pyrrolidin-1-ium-1-yl]-2-methyl-3-nitro-benzoic acid

Systemtic Name: 5-[2,5-bis(oxidanylidene)-1-pyridin-2-yl-pyrrolidin-1-ium-1-yl]-2-methyl-3-nitro-benzoic acid Openeye Name: 5-[2,5-dioxo-1-(2-pyridyl)pyrrolidin-1-ium-1-yl]-2-methyl-3-nitro-benzoic acid CAS Name: 5-[2,5-dioxo-1-(2-pyridinyl)-1-pyrrolidin-1-iumyl]-2-methyl-3-nitrobenzoic acid IUPAC Name: 5-(2,5-dioxo-1-pyridin-2-ylpyrrolidin-1-ium-1-yl)-2-methyl-3-nitrobenzoic acid Traditional Name: 5-[2,5-diketo-1-(2-pyridyl)pyrrolidin-1-ium-1-yl]-2-methyl-3-nitro-benzoic acid Formula: C17H14N3O6+ MolecularWeight: 356.30956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)O)[N+]2(C(=O)CCC2=O)C3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)O)[N+]2(C(=O)CCC2=O)C3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6/c1-10-12(17(23)24)8-11(9-13(10)19(25)26)20(14-4-2-3-7-18-14)15(21)5-6-16(20)22/h2-4,7-9H,5-6H2,1H3/p+1