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

Systemtic Name: (6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H18FNO8 MolecularWeight: 407.346523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC2=C3C(=CC(=C2)F)COCO3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC2=C3C(=CC(=C2)F)COCO3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H18FNO8/c1-3-27-17-6-14(15(21(23)24)7-16(17)25-2)19(22)28-9-12-5-13(20)4-11-8-26-10-29-18(11)12/h4-7H,3,8-10H2,1-2H3