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

Systemtic Name: N-(4-ethanoylphenyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(4-acetylphenyl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(4-acetylphenyl)-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(4-acetylphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(4-acetylphenyl)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetamide Formula: C18H13N3O6 MolecularWeight: 367.31232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O6/c1-10(22)11-2-4-12(5-3-11)19-16(23)9-20-17(24)14-7-6-13(21(26)27)8-15(14)18(20)25/h2-8H,9H2,1H3,(H,19,23)