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

Systemtic Name: (4-chloranyl-3-methyl-phenyl) 6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: (4-chloro-3-methyl-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-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) 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-methyl-phenyl) ester Formula: C21H19ClN2O6 MolecularWeight: 430.83836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H19ClN2O6/c1-13-12-14(9-10-16(13)22)30-18(25)8-3-2-4-11-23-20(26)15-6-5-7-17(24(28)29)19(15)21(23)27/h5-7,9-10,12H,2-4,8,11H2,1H3