(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-methoxy-5-methyl-benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-methoxy-5-methyl-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-methoxy-5-methyl-benzoate CAS Name: 2-methoxy-5-methylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-methoxy-5-methylbenzoate Traditional Name: 2-methoxy-5-methyl-benzoic 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(=C(C=C1)OC)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO7/c1-11-3-4-16(23-2)15(5-11)18(20)25-9-13-7-14(19(21)22)6-12-8-24-10-26-17(12)13/h3-7H,8-10H2,1-2H3