6-chloranyl-8-[(4-nitro-2-prop-2-enyl-phenoxy)methyl]-4H-1,3-benzodioxine

Systemtic Name: 6-chloranyl-8-[(4-nitro-2-prop-2-enyl-phenoxy)methyl]-4H-1,3-benzodioxine Openeye Name: 8-[(2-allyl-4-nitro-phenoxy)methyl]-6-chloro-4H-1,3-benzodioxine CAS Name: 6-chloro-8-[(4-nitro-2-prop-2-enylphenoxy)methyl]-4H-1,3-benzodioxin IUPAC Name: 6-chloro-8-[(4-nitro-2-prop-2-enylphenoxy)methyl]-4H-1,3-benzodioxine Traditional Name: 8-[(2-allyl-4-nitro-phenoxy)methyl]-6-chloro-4H-1,3-benzodioxin Formula: C18H16ClNO5 MolecularWeight: 361.77634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO5/c1-2-3-12-8-16(20(21)22)4-5-17(12)24-10-14-7-15(19)6-13-9-23-11-25-18(13)14/h2,4-8H,1,3,9-11H2