(E)-1,4-dimethoxy-2-(1-methyl-2-phenyl-2H-quinazolin-3-ium-3-yl)-3,4-bis(oxidanylidene)but-1-en-1-olate

Systemtic Name: (E)-1,4-dimethoxy-2-(1-methyl-2-phenyl-2H-quinazolin-3-ium-3-yl)-3,4-bis(oxidanylidene)but-1-en-1-olate Openeye Name: (E)-1,4-dimethoxy-2-(1-methyl-2-phenyl-2H-quinazolin-3-ium-3-yl)-3,4-dioxo-but-1-en-1-olate CAS Name: (E)-1,4-dimethoxy-2-(1-methyl-2-phenyl-2H-quinazolin-3-ium-3-yl)-3,4-dioxo-1-buten-1-olate IUPAC Name: (E)-1,4-dimethoxy-2-(1-methyl-2-phenyl-2H-quinazolin-3-ium-3-yl)-3,4-dioxobut-1-en-1-olate Traditional Name: (E)-3,4-diketo-1,4-dimethoxy-2-(1-methyl-2-phenyl-2H-quinazolin-3-ium-3-yl)but-1-en-1-olate Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CN1C([N+](=CC2=CC=CC=C21)C(=C([O-])OC)C(=O)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CN1C([N+](=CC2=CC=CC=C21)/C(=C(\[O-])/OC)/C(=O)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5/c1-22-16-12-8-7-11-15(16)13-23(19(22)14-9-5-4-6-10-14)17(20(25)27-2)18(24)21(26)28-3/h4-13,19H,1-3H3