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

Systemtic Name: 3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-(5-nitro-1,3-dioxo-isoindolin-2-yl)benzamide CAS Name: 3-(5-nitro-1,3-dioxo-2-isoindolyl)-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-(5-nitro-1,3-dioxoisoindol-2-yl)benzamide Traditional Name: N-benzyl-3-(1,3-diketo-5-nitro-isoindolin-2-yl)benzamide Formula: C22H15N3O5 MolecularWeight: 401.3716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15N3O5/c26-20(23-13-14-5-2-1-3-6-14)15-7-4-8-16(11-15)24-21(27)18-10-9-17(25(29)30)12-19(18)22(24)28/h1-12H,13H2,(H,23,26)