(3,4a,5-trimethyl-7-oxidanyl-2-oxidanylidene-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl) 4-nitrobenzoate

Systemtic Name: (3,4a,5-trimethyl-7-oxidanyl-2-oxidanylidene-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl) 4-nitrobenzoate Openeye Name: (7-hydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]benzofuran-6-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (7-hydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]benzofuran-6-yl) ester IUPAC Name: (7-hydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (7-hydroxy-2-keto-3,4a,5-trimethyl-4,5,6,7-tetrahydrobenzo[f]benzofuran-6-yl) ester Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C=C2C1(CC3=C(C(=O)OC3=C2)C)C)O)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1C(C(C=C2C1(CC3=C(C(=O)OC3=C2)C)C)O)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21NO7/c1-11-16-10-22(3)12(2)19(17(24)8-14(22)9-18(16)29-20(11)25)30-21(26)13-4-6-15(7-5-13)23(27)28/h4-9,12,17,19,24H,10H2,1-3H3