O2-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] ester O4-ethyl ester IUPAC Name: 2-O-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] ester O4-ethyl ester Formula: C19H19BrN3O5+ MolecularWeight: 449.27526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)C

InChI

InChI=1S/C19H18BrN3O5/c1-4-27-18(25)16-10(2)17(21-11(16)3)19(26)28-9-13-7-15(24)23-8-12(20)5-6-14(23)22-13/h5-8H,4,9H2,1-3H3,(H,21,25,26)/p+1