(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C16H14BrN5O5 MolecularWeight: 436.21686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C16H14BrN5O5/c1-9-16(22(25)26)10(2)21(19-9)7-15(24)27-8-12-5-14(23)20-6-11(17)3-4-13(20)18-12/h3-6H,7-8H2,1-2H3