(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: (7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid (7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid (7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C19H17ClN4O6 MolecularWeight: 432.81448

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Cl

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Cl

InChI

InChI=1S/C19H17ClN4O6/c1-29-7-6-21-16-4-3-14(24(27)28)9-15(16)19(26)30-11-13-8-18(25)23-10-12(20)2-5-17(23)22-13/h2-5,8-10,21H,6-7,11H2,1H3