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

Systemtic Name: (E)-[2-(4-nitrophenyl)-4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: (E)-[2-(4-nitrophenyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: (E)-[2-(4-nitrophenyl)-4,5-dioxo-1-(3-pyridin-1-iumylmethyl)-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: (E)-[2-(4-nitrophenyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: (E)-[4,5-diketo-2-(4-nitrophenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C23H17N3O5 MolecularWeight: 415.39818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])/[O-]

InChI

InChI=1S/C23H17N3O5/c27-21(17-6-2-1-3-7-17)19-20(16-8-10-18(11-9-16)26(30)31)25(23(29)22(19)28)14-15-5-4-12-24-13-15/h1-13,20,27H,14H2/b21-19+