[2-(3-nitrophenyl)-4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate

Systemtic Name: [2-(3-nitrophenyl)-4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [2-(3-nitrophenyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [2-(3-nitrophenyl)-4,5-dioxo-1-(3-pyridin-1-iumylmethyl)-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [2-(3-nitrophenyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [4,5-diketo-2-(3-nitrophenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C22H16N4O5 MolecularWeight: 416.38624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(=C(C3=CC=NC=C3)[O-])C(=O)C(=O)N2CC4=C[NH+]=CC=C4

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(=C(C3=CC=NC=C3)[O-])C(=O)C(=O)N2CC4=C[NH+]=CC=C4

InChI

InChI=1S/C22H16N4O5/c27-20(15-6-9-23-10-7-15)18-19(16-4-1-5-17(11-16)26(30)31)25(22(29)21(18)28)13-14-3-2-8-24-12-14/h1-12,19,27H,13H2