(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H15ClN2O6 MolecularWeight: 378.7638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)Cl)C

InChI

InChI=1S/C17H15ClN2O6/c1-9-3-10(2)19-16(18)14(9)17(21)25-7-12-5-13(20(22)23)4-11-6-24-8-26-15(11)12/h3-5H,6-8H2,1-2H3