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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C14H11BrN2O6 MolecularWeight: 383.15094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=CN3)Br)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=CN3)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H11BrN2O6/c15-10-3-12(16-4-10)14(18)22-6-9-2-11(17(19)20)1-8-5-21-7-23-13(8)9/h1-4,16H,5-7H2