N-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-N-(3-methylphenyl)-3,5-dinitro-benzamide

Systemtic Name: N-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-N-(3-methylphenyl)-3,5-dinitro-benzamide Openeye Name: N-[(1,3-dioxoisoindolin-2-yl)methyl]-N-(m-tolyl)-3,5-dinitro-benzamide CAS Name: N-[(1,3-dioxo-2-isoindolyl)methyl]-N-(3-methylphenyl)-3,5-dinitrobenzamide IUPAC Name: N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)-3,5-dinitrobenzamide Traditional Name: N-(m-tolyl)-3,5-dinitro-N-(phthalimidomethyl)benzamide Formula: C23H16N4O7 MolecularWeight: 460.39574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N(CN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H16N4O7/c1-14-5-4-6-16(9-14)24(13-25-22(29)19-7-2-3-8-20(19)23(25)30)21(28)15-10-17(26(31)32)12-18(11-15)27(33)34/h2-12H,13H2,1H3