N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetamide Formula: C18H14ClN3O7 MolecularWeight: 419.77266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC)Cl

InChI

InChI=1S/C18H14ClN3O7/c1-28-13-7-11(14(29-2)6-10(13)19)20-15(23)8-21-17(24)9-4-3-5-12(22(26)27)16(9)18(21)25/h3-7H,8H2,1-2H3,(H,20,23)