cyclobutyl 4-nitro-2-(4H-pyrimidin-3-yl)benzoate

Systemtic Name: cyclobutyl 4-nitro-2-(4H-pyrimidin-3-yl)benzoate Openeye Name: cyclobutyl 4-nitro-2-(4H-pyrimidin-3-yl)benzoate CAS Name: 4-nitro-2-(4H-pyrimidin-3-yl)benzoic acid cyclobutyl ester IUPAC Name: cyclobutyl 4-nitro-2-(4H-pyrimidin-3-yl)benzoate Traditional Name: 4-nitro-2-(4H-pyrimidin-3-yl)benzoic acid cyclobutyl ester Formula: C15H15N3O4 MolecularWeight: 301.2973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N3CC=CN=C3

Isomeric SMILES

C1CC(C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N3CC=CN=C3

InChI

InChI=1S/C15H15N3O4/c19-15(22-12-3-1-4-12)13-6-5-11(18(20)21)9-14(13)17-8-2-7-16-10-17/h2,5-7,9-10,12H,1,3-4,8H2