2-(4-methylphenoxy)ethyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: 2-(4-methylphenoxy)ethyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: 2-(4-methylphenoxy)ethyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid 2-(4-methylphenoxy)ethyl ester IUPAC Name: 2-(4-methylphenoxy)ethyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid 2-(4-methylphenoxy)ethyl ester Formula: C17H15NO7 MolecularWeight: 345.3035

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO7/c1-11-2-4-12(5-3-11)22-6-7-23-17(19)13-8-15-16(25-10-24-15)9-14(13)18(20)21/h2-5,8-9H,6-7,10H2,1H3