(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: (6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C15H13FN2O6 MolecularWeight: 336.271923

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=C3C(=CC(=C2)F)COCO3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=C3C(=CC(=C2)F)COCO3)[N+](=O)[O-]

InChI

InChI=1S/C15H13FN2O6/c1-17-5-12(18(20)21)4-13(17)15(19)23-7-10-3-11(16)2-9-6-22-8-24-14(9)10/h2-5H,6-8H2,1H3