2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-methoxy-5-nitro-phenyl)-3-methyl-pentanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-methoxy-5-nitro-phenyl)-3-methyl-pentanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-(2-methoxy-5-nitro-phenyl)-3-methyl-pentanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-(2-methoxy-5-nitrophenyl)-3-methylpentanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-nitrophenyl)-3-methylpentanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-3-methyl-2-phthalimido-valeramide Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCC(C)C(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21N3O6/c1-4-12(2)18(23-20(26)14-7-5-6-8-15(14)21(23)27)19(25)22-16-11-13(24(28)29)9-10-17(16)30-3/h5-12,18H,4H2,1-3H3,(H,22,25)