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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetamide Formula: C17H12ClN3O6 MolecularWeight: 389.74668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12ClN3O6/c1-27-13-6-5-9(7-11(13)18)19-14(22)8-20-16(23)10-3-2-4-12(21(25)26)15(10)17(20)24/h2-7H,8H2,1H3,(H,19,22)