(3E)-3-[[5-(2-dimethylaminoethyloxy)-2-nitro-phenyl]methylidene]-7-methoxy-2-benzofuran-1-one

Systemtic Name: (3E)-3-[[5-(2-dimethylaminoethyloxy)-2-nitro-phenyl]methylidene]-7-methoxy-2-benzofuran-1-one Openeye Name: (3E)-3-[[5-(2-dimethylaminoethyloxy)-2-nitro-phenyl]methylene]-7-methoxy-isobenzofuran-1-one CAS Name: (3E)-3-[[5-(2-dimethylaminoethyloxy)-2-nitrophenyl]methylidene]-7-methoxy-1-isobenzofuranone IUPAC Name: (3E)-3-[[5-(2-dimethylaminoethyloxy)-2-nitrophenyl]methylidene]-7-methoxy-2-benzofuran-1-one Traditional Name: (3E)-3-[5-(2-dimethylaminoethyloxy)-2-nitro-benzylidene]-7-methoxy-phthalide Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC(=C(C=C1)[N+](=O)[O-])C=C2C3=C(C(=CC=C3)OC)C(=O)O2

Isomeric SMILES

CN(C)CCOC1=CC(=C(C=C1)[N+](=O)[O-])/C=C/2\C3=C(C(=CC=C3)OC)C(=O)O2

InChI

InChI=1S/C20H20N2O6/c1-21(2)9-10-27-14-7-8-16(22(24)25)13(11-14)12-18-15-5-4-6-17(26-3)19(15)20(23)28-18/h4-8,11-12H,9-10H2,1-3H3/b18-12+