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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-methylphenyl)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(p-tolyl)acetate CAS Name: 2-(4-methylphenyl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-methylphenyl)acetate Traditional Name: 2-(p-tolyl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H17NO6 MolecularWeight: 343.33068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO6/c1-12-2-4-13(5-3-12)6-17(20)24-10-15-8-16(19(21)22)7-14-9-23-11-25-18(14)15/h2-5,7-8H,6,9-11H2,1H3