3-[2,5-bis(oxidanylidene)-1-phenoxy-pyrrolidin-1-ium-1-yl]-4-nitro-benzoic acid

Systemtic Name: 3-[2,5-bis(oxidanylidene)-1-phenoxy-pyrrolidin-1-ium-1-yl]-4-nitro-benzoic acid Openeye Name: 3-(2,5-dioxo-1-phenoxy-pyrrolidin-1-ium-1-yl)-4-nitro-benzoic acid CAS Name: 3-(2,5-dioxo-1-phenoxy-1-pyrrolidin-1-iumyl)-4-nitrobenzoic acid IUPAC Name: 3-(2,5-dioxo-1-phenoxypyrrolidin-1-ium-1-yl)-4-nitrobenzoic acid Traditional Name: 3-(2,5-diketo-1-phenoxy-pyrrolidin-1-ium-1-yl)-4-nitro-benzoic acid Formula: C17H13N2O7+ MolecularWeight: 357.29432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)[N+](C1=O)(C2=C(C=CC(=C2)C(=O)O)[N+](=O)[O-])OC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)[N+](C1=O)(C2=C(C=CC(=C2)C(=O)O)[N+](=O)[O-])OC3=CC=CC=C3

InChI

InChI=1S/C17H12N2O7/c20-15-8-9-16(21)19(15,26-12-4-2-1-3-5-12)14-10-11(17(22)23)6-7-13(14)18(24)25/h1-7,10H,8-9H2/p+1