N-(4-methoxy-2-nitro-phenyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C17H12N4O8 MolecularWeight: 400.29918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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