N-(4-methoxyphenyl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzamide

Systemtic Name: N-(4-methoxyphenyl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzamide Openeye Name: N-(4-methoxyphenyl)-3-(5-nitro-1,3-dioxo-isoindolin-2-yl)benzamide CAS Name: N-(4-methoxyphenyl)-3-(5-nitro-1,3-dioxo-2-isoindolyl)benzamide IUPAC Name: N-(4-methoxyphenyl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)benzamide Traditional Name: 3-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-(4-methoxyphenyl)benzamide Formula: C22H15N3O6 MolecularWeight: 417.371

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O6/c1-31-17-8-5-14(6-9-17)23-20(26)13-3-2-4-15(11-13)24-21(27)18-10-7-16(25(29)30)12-19(18)22(24)28/h2-12H,1H3,(H,23,26)