3,5-dimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzaldehyde

Systemtic Name: 3,5-dimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzaldehyde Openeye Name: 3,5-dimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzaldehyde CAS Name: 3,5-dimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzaldehyde IUPAC Name: 3,5-dimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzaldehyde Traditional Name: 3,5-dimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzaldehyde Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C)C=O

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C)C=O

InChI

InChI=1S/C18H17NO6/c1-11-3-13(7-20)4-12(2)17(11)24-9-15-6-16(19(21)22)5-14-8-23-10-25-18(14)15/h3-7H,8-10H2,1-2H3