methyl 3-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzoate

Systemtic Name: methyl 3-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzoate Openeye Name: methyl 3-[6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoylamino]benzoate CAS Name: 3-[[6-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoylamino]benzoate Traditional Name: 3-[6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanoylamino]benzoic acid methyl ester Formula: C22H21N3O7 MolecularWeight: 439.41804

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O7/c1-32-22(29)14-7-5-8-15(13-14)23-18(26)11-3-2-4-12-24-20(27)16-9-6-10-17(25(30)31)19(16)21(24)28/h5-10,13H,2-4,11-12H2,1H3,(H,23,26)