(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-(2-nitrophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-(2-nitrophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-hydroxy-1-(2-nitrophenyl)sulfonyl-pyrrolidine-2-carboxylate CAS Name: 4-hydroxy-1-(2-nitrophenyl)sulfonyl-2-pyrrolidinecarboxylic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-hydroxy-1-(2-nitrophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 4-hydroxy-1-(2-nitrophenyl)sulfonyl-pyrrolidine-2-carboxylic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H20N4O8S MolecularWeight: 488.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3CC(CN3S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3CC(CN3S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])O

InChI

InChI=1S/C21H20N4O8S/c1-13-5-4-8-23-19(27)9-14(22-20(13)23)12-33-21(28)17-10-15(26)11-24(17)34(31,32)18-7-3-2-6-16(18)25(29)30/h2-9,15,17,26H,10-12H2,1H3