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

Systemtic Name: (7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: (7-chloro-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 (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 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C19H16ClN3O7 MolecularWeight: 433.79924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Cl)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C19H16ClN3O7/c1-3-29-16-7-13(14(23(26)27)8-15(16)28-2)19(25)30-10-12-6-18(24)22-9-11(20)4-5-17(22)21-12/h4-9H,3,10H2,1-2H3