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

Systemtic Name: 4-[[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]amino]-N-(4-methoxyphenyl)-3-nitro-benzamide Openeye Name: 4-[(5-bromo-1,3-dioxo-isoindolin-2-yl)amino]-N-(4-methoxyphenyl)-3-nitro-benzamide CAS Name: 4-[(5-bromo-1,3-dioxo-2-isoindolyl)amino]-N-(4-methoxyphenyl)-3-nitrobenzamide IUPAC Name: 4-[(5-bromo-1,3-dioxoisoindol-2-yl)amino]-N-(4-methoxyphenyl)-3-nitrobenzamide Traditional Name: 4-[(5-bromo-1,3-diketo-isoindolin-2-yl)amino]-N-(4-methoxyphenyl)-3-nitro-benzamide Formula: C22H15BrN4O6 MolecularWeight: 511.2817

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)NN3C(=O)C4=C(C3=O)C=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)NN3C(=O)C4=C(C3=O)C=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C22H15BrN4O6/c1-33-15-6-4-14(5-7-15)24-20(28)12-2-9-18(19(10-12)27(31)32)25-26-21(29)16-8-3-13(23)11-17(16)22(26)30/h2-11,25H,1H3,(H,24,28)