3-ethoxycarbonyl-2-methyl-4-(pyrimidin-2-yliminomethyl)benzo[g][1]benzofuran-5-olate

Systemtic Name: 3-ethoxycarbonyl-2-methyl-4-(pyrimidin-2-yliminomethyl)benzo[g][1]benzofuran-5-olate Openeye Name: 3-ethoxycarbonyl-2-methyl-4-(pyrimidin-2-yliminomethyl)benzo[g]benzofuran-5-olate CAS Name: 3-ethoxycarbonyl-2-methyl-4-(2-pyrimidinyliminomethyl)-5-benzo[g]benzofuranolate IUPAC Name: 3-ethoxycarbonyl-2-methyl-4-(pyrimidin-2-yliminomethyl)benzo[g][1]benzofuran-5-olate Traditional Name: 3-carbethoxy-2-methyl-4-(2-pyrimidyliminomethyl)benzo[g]benzofuran-5-olate Formula: C21H16N3O4- MolecularWeight: 374.36944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)[O-])C=NC4=NC=CC=N4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)[O-])C=NC4=NC=CC=N4)C

InChI

InChI=1S/C21H17N3O4/c1-3-27-20(26)16-12(2)28-19-14-8-5-4-7-13(14)18(25)15(17(16)19)11-24-21-22-9-6-10-23-21/h4-11,25H,3H2,1-2H3/p-1