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

Systemtic Name: N-(3,4-dimethylphenyl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzamide Openeye Name: N-(3,4-dimethylphenyl)-3-(5-nitro-1,3-dioxo-isoindolin-2-yl)benzamide CAS Name: N-(3,4-dimethylphenyl)-3-(5-nitro-1,3-dioxo-2-isoindolyl)benzamide IUPAC Name: N-(3,4-dimethylphenyl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)benzamide Traditional Name: 3-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-(3,4-dimethylphenyl)benzamide Formula: C23H17N3O5 MolecularWeight: 415.39818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H17N3O5/c1-13-6-7-16(10-14(13)2)24-21(27)15-4-3-5-17(11-15)25-22(28)19-9-8-18(26(30)31)12-20(19)23(25)29/h3-12H,1-2H3,(H,24,27)