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

Systemtic Name: ethyl 2-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzoate Openeye Name: ethyl 2-[6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoylamino]benzoate CAS Name: 2-[[6-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoylamino]benzoate Traditional Name: 2-[6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanoylamino]benzoic acid ethyl ester Formula: C23H23N3O7 MolecularWeight: 453.44462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O7/c1-2-33-23(30)15-9-5-6-11-17(15)24-19(27)13-4-3-7-14-25-21(28)16-10-8-12-18(26(31)32)20(16)22(25)29/h5-6,8-12H,2-4,7,13-14H2,1H3,(H,24,27)