(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-phenylcyclobutane-1-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-phenylcyclobutane-1-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-phenylcyclobutanecarboxylate CAS Name: 1-phenyl-1-cyclobutanecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-phenylcyclobutane-1-carboxylate Traditional Name: 1-phenylcyclobutanecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H19NO6 MolecularWeight: 369.36796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(C2=CC=CC=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1CC(C1)(C2=CC=CC=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C20H19NO6/c22-19(20(7-4-8-20)16-5-2-1-3-6-16)26-12-15-10-17(21(23)24)9-14-11-25-13-27-18(14)15/h1-3,5-6,9-10H,4,7-8,11-13H2