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

Systemtic Name: 2-cyclopropylcarbonyl-1-methyl-3-(3-nitrophenyl)-4-oxidanylidene-3,3a,5,6,7,7a-hexahydroisoindole-1-carboxylic acid Openeye Name: 2-(cyclopropanecarbonyl)-1-methyl-3-(3-nitrophenyl)-4-oxo-3,3a,5,6,7,7a-hexahydroisoindole-1-carboxylic acid CAS Name: 2-[cyclopropyl(oxo)methyl]-1-methyl-3-(3-nitrophenyl)-4-oxo-3,3a,5,6,7,7a-hexahydroisoindole-1-carboxylic acid IUPAC Name: 2-(cyclopropanecarbonyl)-1-methyl-3-(3-nitrophenyl)-4-oxo-3,3a,5,6,7,7a-hexahydroisoindole-1-carboxylic acid Traditional Name: 2-(cyclopropanecarbonyl)-4-keto-1-methyl-3-(3-nitrophenyl)-3,3a,5,6,7,7a-hexahydroisoindole-1-carboxylic acid Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCCC(=O)C2C(N1C(=O)C3CC3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1(C2CCCC(=O)C2C(N1C(=O)C3CC3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H22N2O6/c1-20(19(25)26)14-6-3-7-15(23)16(14)17(21(20)18(24)11-8-9-11)12-4-2-5-13(10-12)22(27)28/h2,4-5,10-11,14,16-17H,3,6-9H2,1H3,(H,25,26)