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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanamide CAS Name: N-(3-chloro-4-methylphenyl)-6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanamide Formula: C21H20ClN3O5 MolecularWeight: 429.8536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O5/c1-13-9-10-14(12-16(13)22)23-18(26)8-3-2-4-11-24-20(27)15-6-5-7-17(25(29)30)19(15)21(24)28/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,23,26)