(4E)-4-(ethoxymethylidene)-2-(4-ethoxy-2-nitro-phenyl)-7-methoxy-isoquinoline-1,3-dione

Systemtic Name: (4E)-4-(ethoxymethylidene)-2-(4-ethoxy-2-nitro-phenyl)-7-methoxy-isoquinoline-1,3-dione Openeye Name: (4E)-4-(ethoxymethylene)-2-(4-ethoxy-2-nitro-phenyl)-7-methoxy-isoquinoline-1,3-dione CAS Name: (4E)-4-(ethoxymethylidene)-2-(4-ethoxy-2-nitrophenyl)-7-methoxyisoquinoline-1,3-dione IUPAC Name: (4E)-4-(ethoxymethylidene)-2-(4-ethoxy-2-nitrophenyl)-7-methoxyisoquinoline-1,3-dione Traditional Name: (4E)-4-(ethoxymethylene)-2-(4-ethoxy-2-nitro-phenyl)-7-methoxy-isoquinoline-1,3-quinone Formula: C21H20N2O7 MolecularWeight: 412.3927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC=C1C2=C(C=C(C=C2)OC)C(=O)N(C1=O)C3=C(C=C(C=C3)OCC)[N+](=O)[O-]

Isomeric SMILES

CCO/C=C/1\C2=C(C=C(C=C2)OC)C(=O)N(C1=O)C3=C(C=C(C=C3)OCC)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O7/c1-4-29-12-17-15-8-6-13(28-3)10-16(15)20(24)22(21(17)25)18-9-7-14(30-5-2)11-19(18)23(26)27/h6-12H,4-5H2,1-3H3/b17-12+