2-cyclohexylcarbonyl-1-methyl-3-(3-nitrophenyl)-4-oxidanylidene-3,3a,5,6,7,7a-hexahydroisoindole-1-carboxylic acid

Systemtic Name: 2-cyclohexylcarbonyl-1-methyl-3-(3-nitrophenyl)-4-oxidanylidene-3,3a,5,6,7,7a-hexahydroisoindole-1-carboxylic acid Openeye Name: 2-(cyclohexanecarbonyl)-1-methyl-3-(3-nitrophenyl)-4-oxo-3,3a,5,6,7,7a-hexahydroisoindole-1-carboxylic acid CAS Name: 2-[cyclohexyl(oxo)methyl]-1-methyl-3-(3-nitrophenyl)-4-oxo-3,3a,5,6,7,7a-hexahydroisoindole-1-carboxylic acid IUPAC Name: 2-(cyclohexanecarbonyl)-1-methyl-3-(3-nitrophenyl)-4-oxo-3,3a,5,6,7,7a-hexahydroisoindole-1-carboxylic acid Traditional Name: 2-(cyclohexanecarbonyl)-4-keto-1-methyl-3-(3-nitrophenyl)-3,3a,5,6,7,7a-hexahydroisoindole-1-carboxylic acid Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCCC(=O)C2C(N1C(=O)C3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1(C2CCCC(=O)C2C(N1C(=O)C3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C23H28N2O6/c1-23(22(28)29)17-11-6-12-18(26)19(17)20(15-9-5-10-16(13-15)25(30)31)24(23)21(27)14-7-3-2-4-8-14/h5,9-10,13-14,17,19-20H,2-4,6-8,11-12H2,1H3,(H,28,29)