3-methoxy-3-(nitromethyl)-7-phenyl-2-benzofuran-1-one

Systemtic Name: 3-methoxy-3-(nitromethyl)-7-phenyl-2-benzofuran-1-one Openeye Name: 3-methoxy-3-(nitromethyl)-7-phenyl-isobenzofuran-1-one CAS Name: 3-methoxy-3-(nitromethyl)-7-phenyl-1-isobenzofuranone IUPAC Name: 3-methoxy-3-(nitromethyl)-7-phenyl-2-benzofuran-1-one Traditional Name: 3-methoxy-3-(nitromethyl)-7-phenyl-phthalide Formula: C16H13NO5 MolecularWeight: 299.27812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1(C2=CC=CC(=C2C(=O)O1)C3=CC=CC=C3)C[N+](=O)[O-]

Isomeric SMILES

COC1(C2=CC=CC(=C2C(=O)O1)C3=CC=CC=C3)C[N+](=O)[O-]

InChI

InChI=1S/C16H13NO5/c1-21-16(10-17(19)20)13-9-5-8-12(14(13)15(18)22-16)11-6-3-2-4-7-11/h2-9H,10H2,1H3