2-cyclohexylcarbonyl-3-(3-nitrophenyl)-4-oxidanylidene-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid

Systemtic Name: 2-cyclohexylcarbonyl-3-(3-nitrophenyl)-4-oxidanylidene-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Openeye Name: 2-(cyclohexanecarbonyl)-3-(3-nitrophenyl)-4-oxo-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid CAS Name: 2-[cyclohexyl(oxo)methyl]-3-(3-nitrophenyl)-4-oxo-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid IUPAC Name: 2-(cyclohexanecarbonyl)-3-(3-nitrophenyl)-4-oxo-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Traditional Name: 2-(cyclohexanecarbonyl)-4-keto-3-(3-nitrophenyl)-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2C(C3C(C2C(=O)O)CCCC3=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)N2C(C3C(C2C(=O)O)CCCC3=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O6/c25-17-11-5-10-16-18(17)19(14-8-4-9-15(12-14)24(29)30)23(20(16)22(27)28)21(26)13-6-2-1-3-7-13/h4,8-9,12-13,16,18-20H,1-3,5-7,10-11H2,(H,27,28)