ethyl 2-methyl-5-[(3-nitro-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)oxy]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[(3-nitro-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)oxy]-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-methyl-5-[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)oxy]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)oxy]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)oxy]-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-keto-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)oxy]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C20H16N3O7+ MolecularWeight: 410.35694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-])C

InChI

InChI=1S/C20H15N3O7/c1-3-28-20(25)16-11(2)29-14-8-7-12(10-13(14)16)30-18-17(23(26)27)19(24)22-9-5-4-6-15(22)21-18/h4-10H,3H2,1-2H3/p+1