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

Systemtic Name: N-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-phenyl]-3,5-dinitro-benzamide Openeye Name: N-[2-(1,3-dioxoisoindolin-2-yl)-3-methyl-phenyl]-3,5-dinitro-benzamide CAS Name: N-[2-(1,3-dioxo-2-isoindolyl)-3-methylphenyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-(1,3-dioxoisoindol-2-yl)-3-methylphenyl]-3,5-dinitrobenzamide Traditional Name: N-(3-methyl-2-phthalimido-phenyl)-3,5-dinitro-benzamide Formula: C22H14N4O7 MolecularWeight: 446.36916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H14N4O7/c1-12-5-4-8-18(19(12)24-21(28)16-6-2-3-7-17(16)22(24)29)23-20(27)13-9-14(25(30)31)11-15(10-13)26(32)33/h2-11H,1H3,(H,23,27)