(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-5-chloro-3-methyl-4-pyrazolecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H20ClN3O6 MolecularWeight: 409.8209

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)Cl

InChI

InChI=1S/C18H20ClN3O6/c1-3-4-5-21-17(19)15(11(2)20-21)18(23)27-9-13-7-14(22(24)25)6-12-8-26-10-28-16(12)13/h6-7H,3-5,8-10H2,1-2H3