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

Systemtic Name: (7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-chloranyl-2-nitro-benzoate Openeye Name: (7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-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 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid (7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C16H9Cl2N3O5 MolecularWeight: 394.16576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)[N+](=O)[O-])C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Cl

Isomeric SMILES

C1=CC(=C(C=C1Cl)[N+](=O)[O-])C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Cl

InChI

InChI=1S/C16H9Cl2N3O5/c17-9-1-3-12(13(5-9)21(24)25)16(23)26-8-11-6-15(22)20-7-10(18)2-4-14(20)19-11/h1-7H,8H2