(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-methyl-3-nitro-benzoate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-methyl-3-nitro-benzoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic 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-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5/c1-11-5-6-13(8-15(11)21(24)25)18(23)26-10-14-9-16(22)20-7-3-4-12(2)17(20)19-14/h3-9H,10H2,1-2H3