(3a,7a-dimethyl-1,3,4,5,6,7-hexahydro-2-benzofuran-4-yl) 4-nitrobenzoate

Systemtic Name: (3a,7a-dimethyl-1,3,4,5,6,7-hexahydro-2-benzofuran-4-yl) 4-nitrobenzoate Openeye Name: (3a,7a-dimethyl-1,3,4,5,6,7-hexahydroisobenzofuran-4-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (3a,7a-dimethyl-1,3,4,5,6,7-hexahydroisobenzofuran-4-yl) ester IUPAC Name: (3a,7a-dimethyl-1,3,4,5,6,7-hexahydro-2-benzofuran-4-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3a,7a-dimethyl-1,3,4,5,6,7-hexahydroisobenzofuran-4-yl) ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1(COC2)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC12CCCC(C1(COC2)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21NO5/c1-16-9-3-4-14(17(16,2)11-22-10-16)23-15(19)12-5-7-13(8-6-12)18(20)21/h5-8,14H,3-4,9-11H2,1-2H3