3-nitro-1-(pyridin-1-ium-4-ylmethyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-olate

Systemtic Name: 3-nitro-1-(pyridin-1-ium-4-ylmethyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-olate Openeye Name: 3-nitro-1-(pyridin-1-ium-4-ylmethyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-olate CAS Name: 3-nitro-1-(4-pyridin-1-iumylmethyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-olate IUPAC Name: 3-nitro-1-(pyridin-1-ium-4-ylmethyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-olate Traditional Name: 3-nitro-1-(pyridin-1-ium-4-ylmethyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-olate Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(O2)C=C(C(=C3C=NCC4=CC=[NH+]C=C4)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C3=C(O2)C=C(C(=C3C=NCC4=CC=[NH+]C=C4)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4/c23-19-14(11-21-10-12-5-7-20-8-6-12)18-13-3-1-2-4-16(13)26-17(18)9-15(19)22(24)25/h5-9,11,23H,1-4,10H2