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

Systemtic Name: ethyl 3-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H23N3O7 MolecularWeight: 453.44462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O7/c1-2-33-23(30)15-8-6-9-16(14-15)24-19(27)12-4-3-5-13-25-21(28)17-10-7-11-18(26(31)32)20(17)22(25)29/h6-11,14H,2-5,12-13H2,1H3,(H,24,27)