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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-propoxybenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H19NO7 MolecularWeight: 373.35666

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C19H19NO7/c1-2-7-25-17-5-3-13(4-6-17)19(21)26-11-15-9-16(20(22)23)8-14-10-24-12-27-18(14)15/h3-6,8-9H,2,7,10-12H2,1H3