(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H22ClNO8 MolecularWeight: 451.85428

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OCC

InChI

InChI=1S/C21H22ClNO8/c1-3-5-29-20-17(22)8-13(9-18(20)28-4-2)21(24)30-11-15-7-16(23(25)26)6-14-10-27-12-31-19(14)15/h6-9H,3-5,10-12H2,1-2H3