(Z)-[1-(4-methoxyphenyl)-2,6-bis(oxidanylidene)-4-pyridin-1-ium-1-yl-pyrimidin-5-ylidene]methanolate

Systemtic Name: (Z)-[1-(4-methoxyphenyl)-2,6-bis(oxidanylidene)-4-pyridin-1-ium-1-yl-pyrimidin-5-ylidene]methanolate Openeye Name: (Z)-[1-(4-methoxyphenyl)-2,6-dioxo-4-pyridin-1-ium-1-yl-pyrimidin-5-ylidene]methanolate CAS Name: (Z)-[1-(4-methoxyphenyl)-2,6-dioxo-4-(1-pyridin-1-iumyl)-5-pyrimidinylidene]methanolate IUPAC Name: (Z)-[1-(4-methoxyphenyl)-2,6-dioxo-4-pyridin-1-ium-1-ylpyrimidin-5-ylidene]methanolate Traditional Name: (Z)-[2,6-diketo-1-(4-methoxyphenyl)-4-pyridin-1-ium-1-yl-pyrimidin-5-ylidene]methanolate Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=C[O-])C(=NC2=O)[N+]3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)/C(=C\[O-])/C(=NC2=O)[N+]3=CC=CC=C3

InChI

InChI=1S/C17H13N3O4/c1-24-13-7-5-12(6-8-13)20-16(22)14(11-21)15(18-17(20)23)19-9-3-2-4-10-19/h2-11H,1H3