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2-(2,5-dimethylphenoxy)ethyl 6-nitro-1,3-benzodioxole-5-carboxylate

2-(2,5-dimethylphenoxy)ethyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name:2-(2,5-dimethylphenoxy)ethyl 6-nitro-1,3-benzodioxole-5-carboxylate
Openeye Name:2-(2,5-dimethylphenoxy)ethyl 6-nitro-1,3-benzodioxole-5-carboxylate
CAS Name:6-nitro-1,3-benzodioxole-5-carboxylic acid 2-(2,5-dimethylphenoxy)ethyl ester
IUPAC Name:2-(2,5-dimethylphenoxy)ethyl 6-nitro-1,3-benzodioxole-5-carboxylate
Traditional Name:6-nitro-piperonylic acid 2-(2,5-dimethylphenoxy)ethyl ester
Formula: C18H17NO7
MolecularWeight: 359.33008
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCOC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3


Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCOC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3


InChI

InChI=1S/C18H17NO7/c1-11-3-4-12(2)15(7-11)23-5-6-24-18(20)13-8-16-17(26-10-25-16)9-14(13)19(21)22/h3-4,7-9H,5-6,10H2,1-2H3


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