decyl 2-(4-nitrophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: decyl 2-(4-nitrophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: decyl 2-(4-nitrophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-nitrophenyl)-1,3-dioxo-5-isoindolecarboxylic acid decyl ester IUPAC Name: decyl 2-(4-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(4-nitrophenyl)isoindoline-5-carboxylic acid decyl ester Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H28N2O6/c1-2-3-4-5-6-7-8-9-16-33-25(30)18-10-15-21-22(17-18)24(29)26(23(21)28)19-11-13-20(14-12-19)27(31)32/h10-15,17H,2-9,16H2,1H3