O4-ethyl O2-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-ethyl O2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] ester IUPAC Name: 4-O-ethyl 2-O-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] ester Formula: C19H20N3O5+ MolecularWeight: 370.3792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2)C

InChI

InChI=1S/C19H19N3O5/c1-4-26-18(24)16-11(2)17(20-12(16)3)19(25)27-10-13-9-15(23)22-8-6-5-7-14(22)21-13/h5-9H,4,10H2,1-3H3,(H,20,24,25)/p+1