(5-methyl-2-propan-2-yl-cyclohexyl) 2-(3-nitrophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(3-nitrophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(3-nitrophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-nitrophenyl)-1,3-dioxo-5-isoindolecarboxylic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-nitrophenyl)isoindoline-5-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C25H26N2O6/c1-14(2)19-9-7-15(3)11-22(19)33-25(30)16-8-10-20-21(12-16)24(29)26(23(20)28)17-5-4-6-18(13-17)27(31)32/h4-6,8,10,12-15,19,22H,7,9,11H2,1-3H3