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

Systemtic Name: butyl 4-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C25H27N3O7 MolecularWeight: 481.49778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O7/c1-2-3-16-35-25(32)17-11-13-18(14-12-17)26-21(29)10-5-4-6-15-27-23(30)19-8-7-9-20(28(33)34)22(19)24(27)31/h7-9,11-14H,2-6,10,15-16H2,1H3,(H,26,29)