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

Systemtic Name: heptyl 2-(4-nitrophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: heptyl 2-(4-nitrophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-nitrophenyl)-1,3-dioxo-5-isoindolecarboxylic acid heptyl ester IUPAC Name: heptyl 2-(4-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(4-nitrophenyl)isoindoline-5-carboxylic acid heptyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6/c1-2-3-4-5-6-13-30-22(27)15-7-12-18-19(14-15)21(26)23(20(18)25)16-8-10-17(11-9-16)24(28)29/h7-12,14H,2-6,13H2,1H3