N-(2-methoxy-4-nitro-phenyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(2-methoxy-4-nitrophenyl)-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C17H12N4O8 MolecularWeight: 400.29918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O8/c1-29-13-7-9(20(25)26)5-6-11(13)18-14(22)8-19-16(23)10-3-2-4-12(21(27)28)15(10)17(19)24/h2-7H,8H2,1H3,(H,18,22)