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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(3-methylphenoxy)butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)butanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO7/c1-14-4-2-5-18(8-14)26-7-3-6-19(22)27-12-16-10-17(21(23)24)9-15-11-25-13-28-20(15)16/h2,4-5,8-10H,3,6-7,11-13H2,1H3