(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H19ClN2O6 MolecularWeight: 418.82766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C20H19ClN2O6/c21-15-7-13-10-27-12-29-19(13)14(8-15)11-28-20(24)17-9-16(23(25)26)3-4-18(17)22-5-1-2-6-22/h3-4,7-9H,1-2,5-6,10-12H2