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

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-chloranyl-2-nitro-benzoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-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-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H12ClN3O5 MolecularWeight: 373.74728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN3O5/c1-10-3-2-6-20-15(22)8-12(19-16(10)20)9-26-17(23)13-7-11(18)4-5-14(13)21(24)25/h2-8H,9H2,1H3