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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-ethylbenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C18H17NO6/c1-2-12-3-5-13(6-4-12)18(20)24-10-15-8-16(19(21)22)7-14-9-23-11-25-17(14)15/h3-8H,2,9-11H2,1H3