(8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-methoxy-5-nitro-benzoate

Systemtic Name: (8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-methoxy-5-nitro-benzoate Openeye Name: (8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid (8-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid (4-keto-8-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H15N3O6/c1-11-5-6-20-16(7-11)19-12(8-17(20)22)10-27-18(23)14-9-13(21(24)25)3-4-15(14)26-2/h3-9H,10H2,1-2H3