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

Systemtic Name: [2-(4-nitrophenyl)-4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [2-(4-nitrophenyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [2-(4-nitrophenyl)-4,5-dioxo-1-(3-pyridin-1-iumylmethyl)-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [2-(4-nitrophenyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [4,5-diketo-2-(4-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(=C[NH+]=C1)CN2C(C(=C(C3=CC=NC=C3)[O-])C(=O)C2=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C[NH+]=C1)CN2C(C(=C(C3=CC=NC=C3)[O-])C(=O)C2=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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