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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetamide Formula: C17H9ClN4O5 MolecularWeight: 384.73016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])Cl)C#N

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])Cl)C#N

InChI

InChI=1S/C17H9ClN4O5/c18-14-5-10(2-1-9(14)7-19)20-15(23)8-21-16(24)12-4-3-11(22(26)27)6-13(12)17(21)25/h1-6H,8H2,(H,20,23)