8-[(3-ethylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxine

Systemtic Name: 8-[(3-ethylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxine Openeye Name: 8-[(3-ethylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxine CAS Name: 8-[(3-ethylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxin IUPAC Name: 8-[(3-ethylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxine Traditional Name: 8-[(3-ethylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxin Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCC1=CC(=CC=C1)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C17H17NO5/c1-2-12-4-3-5-16(6-12)22-10-14-8-15(18(19)20)7-13-9-21-11-23-17(13)14/h3-8H,2,9-11H2,1H3