2-(3,5-dimethylphenoxy)ethyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: 2-(3,5-dimethylphenoxy)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-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)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-(3,5-dimethylphenoxy)ethyl ester Formula: C19H19NO7 MolecularWeight: 373.35666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO7/c1-12-7-13(2)9-14(8-12)24-3-6-27-19(21)15-10-17-18(26-5-4-25-17)11-16(15)20(22)23/h7-11H,3-6H2,1-2H3