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

Systemtic Name: 2-cyclobutylcarbonyl-1-methyl-3-(3-nitrophenyl)-4-oxidanylidene-3,3a,5,6,7,7a-hexahydroisoindole-1-carboxylic acid Openeye Name: 2-(cyclobutanecarbonyl)-1-methyl-3-(3-nitrophenyl)-4-oxo-3,3a,5,6,7,7a-hexahydroisoindole-1-carboxylic acid CAS Name: 2-[cyclobutyl(oxo)methyl]-1-methyl-3-(3-nitrophenyl)-4-oxo-3,3a,5,6,7,7a-hexahydroisoindole-1-carboxylic acid IUPAC Name: 2-(cyclobutanecarbonyl)-1-methyl-3-(3-nitrophenyl)-4-oxo-3,3a,5,6,7,7a-hexahydroisoindole-1-carboxylic acid Traditional Name: 2-(cyclobutanecarbonyl)-4-keto-1-methyl-3-(3-nitrophenyl)-3,3a,5,6,7,7a-hexahydroisoindole-1-carboxylic acid Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCCC(=O)C2C(N1C(=O)C3CCC3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1(C2CCCC(=O)C2C(N1C(=O)C3CCC3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H24N2O6/c1-21(20(26)27)15-9-4-10-16(24)17(15)18(22(21)19(25)12-5-2-6-12)13-7-3-8-14(11-13)23(28)29/h3,7-8,11-12,15,17-18H,2,4-6,9-10H2,1H3,(H,26,27)