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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic 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 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CC(=C(C=C3)NCCOC)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CC(=C(C=C3)NCCOC)[N+](=O)[O-])C=C1

InChI

InChI=1S/C20H20N4O6/c1-13-3-6-18-22-15(10-19(25)23(18)11-13)12-30-20(26)14-4-5-16(21-7-8-29-2)17(9-14)24(27)28/h3-6,9-11,21H,7-8,12H2,1-2H3