(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C14H11ClN3O3+ MolecularWeight: 304.70844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)NC(=CC2=O)COC(=O)C3=CC(=CN3)Cl

Isomeric SMILES

C1=CC=[N+]2C(=C1)NC(=CC2=O)COC(=O)C3=CC(=CN3)Cl

InChI

InChI=1S/C14H10ClN3O3/c15-9-5-11(16-7-9)14(20)21-8-10-6-13(19)18-4-2-1-3-12(18)17-10/h1-7H,8H2,(H,16,20)/p+1