O1-ethyl O3-[(8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[(8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[(8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[(8-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl] ester IUPAC Name: 1-O-ethyl 3-O-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[(4-keto-8-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl] ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=CC(=O)N3C=CC(=CC3=N2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=CC(=O)N3C=CC(=CC3=N2)C)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7/c1-3-29-19(25)13-7-14(9-16(8-13)23(27)28)20(26)30-11-15-10-18(24)22-5-4-12(2)6-17(22)21-15/h4-10H,3,11H2,1-2H3