2-cyclohexylcarbonyl-3-methyl-1-(3-nitrophenyl)-6-oxidanylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(=O)C2C(N1C(=O)C3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1(C2CCC(=O)C2C(N1C(=O)C3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H26N2O6/c1-22(21(27)28)16-10-11-17(25)18(16)19(14-8-5-9-15(12-14)24(29)30)23(22)20(26)13-6-3-2-4-7-13/h5,8-9,12-13,16,18-19H,2-4,6-7,10-11H2,1H3,(H,27,28)