octyl 4-[5-(4-nitrophenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: octyl 4-[5-(4-nitrophenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: octyl 4-[5-(4-nitrophenoxy)-1,3-dioxo-isoindolin-2-yl]benzoate CAS Name: 4-[5-(4-nitrophenoxy)-1,3-dioxo-2-isoindolyl]benzoic acid octyl ester IUPAC Name: octyl 4-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate Traditional Name: 4-[1,3-diketo-5-(4-nitrophenoxy)isoindolin-2-yl]benzoic acid octyl ester Formula: C29H28N2O7 MolecularWeight: 516.54182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H28N2O7/c1-2-3-4-5-6-7-18-37-29(34)20-8-10-21(11-9-20)30-27(32)25-17-16-24(19-26(25)28(30)33)38-23-14-12-22(13-15-23)31(35)36/h8-17,19H,2-7,18H2,1H3