N-(3-chloranyl-2,6-diethyl-phenyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(3-chloro-2,6-diethyl-phenyl)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetamide Formula: C20H18ClN3O5 MolecularWeight: 415.82702

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN3O5/c1-3-11-5-8-16(21)13(4-2)18(11)22-17(25)10-23-19(26)14-7-6-12(24(28)29)9-15(14)20(23)27/h5-9H,3-4,10H2,1-2H3,(H,22,25)