(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(3-methylphenoxy)ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(3-methylphenoxy)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(3-methylphenoxy)acetate CAS Name: 2-(3-methylphenoxy)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(3-methylphenoxy)acetate Traditional Name: 2-(3-methylphenoxy)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H17NO7 MolecularWeight: 359.33008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C18H17NO7/c1-12-3-2-4-16(5-12)24-10-17(20)25-9-14-7-15(19(21)22)6-13-8-23-11-26-18(13)14/h2-7H,8-11H2,1H3