N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetamide Formula: C18H14ClN3O5 MolecularWeight: 387.77386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H14ClN3O5/c1-9-6-10(2)16(12(19)7-9)20-14(23)8-21-17(24)11-4-3-5-13(22(26)27)15(11)18(21)25/h3-7H,8H2,1-2H3,(H,20,23)