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

Systemtic Name: cyclohexyl 4-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzoate Openeye Name: cyclohexyl 4-[6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoylamino]benzoate CAS Name: 4-[[6-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoylamino]benzoate Traditional Name: 4-[6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanoylamino]benzoic acid cyclohexyl ester Formula: C27H29N3O7 MolecularWeight: 507.53506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=O)CCCCCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=O)CCCCCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H29N3O7/c31-23(28-19-15-13-18(14-16-19)27(34)37-20-8-3-1-4-9-20)12-5-2-6-17-29-25(32)21-10-7-11-22(30(35)36)24(21)26(29)33/h7,10-11,13-16,20H,1-6,8-9,12,17H2,(H,28,31)