(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 1,5-dimethylpyrazole-4-carboxylate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 1,5-dimethylpyrazole-4-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 1,5-dimethylpyrazole-4-carboxylate CAS Name: 1,5-dimethyl-4-pyrazolecarboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 1,5-dimethylpyrazole-4-carboxylate Traditional Name: 1,5-dimethylpyrazole-4-carboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC1=C(C=NN1C)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C16H17ClN2O4/c1-10-12(8-18-19(10)2)16(20)23-9-11-6-13(17)15-14(7-11)21-4-3-5-22-15/h6-8H,3-5,9H2,1-2H3