(4-chloranyl-3,5-dimethyl-phenyl) 6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) 6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) 6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoate CAS Name: 6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanoic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) 6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: 6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanoic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C22H21ClN2O6 MolecularWeight: 444.86494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21ClN2O6/c1-13-11-15(12-14(2)20(13)23)31-18(26)9-4-3-5-10-24-21(27)16-7-6-8-17(25(29)30)19(16)22(24)28/h6-8,11-12H,3-5,9-10H2,1-2H3