(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O6/c1-10(2)6-21-17(19)15(11(3)20-21)18(23)27-8-13-5-14(22(24)25)4-12-7-26-9-28-16(12)13/h4-5,10H,6-9H2,1-3H3