2-(4-methylphenoxy)ethyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: 2-(4-methylphenoxy)ethyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: 2-(4-methylphenoxy)ethyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid 2-(4-methylphenoxy)ethyl ester IUPAC Name: 2-(4-methylphenoxy)ethyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid 2-(4-methylphenoxy)ethyl ester Formula: C18H17NO7 MolecularWeight: 359.33008

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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-])OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)OCCOC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C18H17NO7/c1-12-2-4-13(5-3-12)23-6-9-26-18(20)14-10-16-17(25-8-7-24-16)11-15(14)19(21)22/h2-5,10-11H,6-9H2,1H3