O1-ethyl O4-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] ester IUPAC Name: 1-O-ethyl 4-O-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] ester Formula: C16H17N2O5+ MolecularWeight: 317.31658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC1=CC(=O)[N+]2=C(N1)C=CC(=C2)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC1=CC(=O)[N+]2=C(N1)C=CC(=C2)C

InChI

InChI=1S/C16H16N2O5/c1-3-22-15(20)6-7-16(21)23-10-12-8-14(19)18-9-11(2)4-5-13(18)17-12/h4-9H,3,10H2,1-2H3/p+1/b7-6+