8-[(4-chloranyl-3-ethyl-phenoxy)methyl]-6-nitro-4H-1,3-benzodioxine

Systemtic Name: 8-[(4-chloranyl-3-ethyl-phenoxy)methyl]-6-nitro-4H-1,3-benzodioxine Openeye Name: 8-[(4-chloro-3-ethyl-phenoxy)methyl]-6-nitro-4H-1,3-benzodioxine CAS Name: 8-[(4-chloro-3-ethylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxin IUPAC Name: 8-[(4-chloro-3-ethylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxine Traditional Name: 8-[(4-chloro-3-ethyl-phenoxy)methyl]-6-nitro-4H-1,3-benzodioxin Formula: C17H16ClNO5 MolecularWeight: 349.76564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO5/c1-2-11-7-15(3-4-16(11)18)23-9-13-6-14(19(20)21)5-12-8-22-10-24-17(12)13/h3-7H,2,8-10H2,1H3