3-methyl-N-[4-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl]phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]phenyl]butanamide CAS Name: 3-methyl-N-[4-[2-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[2-(4-nitro-1,3-dioxoisoindol-2-yl)acetyl]phenyl]butanamide Traditional Name: N-[4-[2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetyl]phenyl]-3-methyl-butyramide Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6/c1-12(2)10-18(26)22-14-8-6-13(7-9-14)17(25)11-23-20(27)15-4-3-5-16(24(29)30)19(15)21(23)28/h3-9,12H,10-11H2,1-2H3,(H,22,26)