(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-chloranylquinoline-4-carboxylate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-chloranylquinoline-4-carboxylate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-chloroquinoline-4-carboxylate CAS Name: 2-chloro-4-quinolinecarboxylic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-chloroquinoline-4-carboxylate Traditional Name: 2-chlorocinchoninic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H14ClN3O3 MolecularWeight: 379.79646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CC(=NC4=CC=CC=C43)Cl)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CC(=NC4=CC=CC=C43)Cl)C=C1

InChI

InChI=1S/C20H14ClN3O3/c1-12-6-7-18-22-13(8-19(25)24(18)10-12)11-27-20(26)15-9-17(21)23-16-5-3-2-4-14(15)16/h2-10H,11H2,1H3