N-[2-(4-tert-butylphenoxy)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-[2-(4-tert-butylphenoxy)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[2-(4-tert-butylphenoxy)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[2-(4-tert-butylphenoxy)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[2-(4-tert-butylphenoxy)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[2-(4-tert-butylphenoxy)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6/c1-21(2,3)14-4-6-15(7-5-14)27-9-8-22-20(24)16-12-18-19(29-11-10-28-18)13-17(16)23(25)26/h4-7,12-13H,8-11H2,1-3H3,(H,22,24)