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

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-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 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C)[N+](=O)[O-])OC

InChI

InChI=1S/C20H19N3O7/c1-4-29-17-9-14(15(23(26)27)10-16(17)28-3)20(25)30-11-13-8-18(24)22-7-5-6-12(2)19(22)21-13/h5-10H,4,11H2,1-3H3