(4,7,7-trimethyl-2-oxidanyl-5-oxidanylidene-cyclohept-3-en-1-yl) 4-nitrobenzoate

Systemtic Name: (4,7,7-trimethyl-2-oxidanyl-5-oxidanylidene-cyclohept-3-en-1-yl) 4-nitrobenzoate Openeye Name: (2-hydroxy-4,7,7-trimethyl-5-oxo-cyclohept-3-en-1-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (2-hydroxy-4,7,7-trimethyl-5-oxo-1-cyclohept-3-enyl) ester IUPAC Name: (2-hydroxy-4,7,7-trimethyl-5-oxocyclohept-3-en-1-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-hydroxy-5-keto-4,7,7-trimethyl-cyclohept-3-en-1-yl) ester Formula: C17H19NO6 MolecularWeight: 333.33586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C(CC1=O)(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(C(C(CC1=O)(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H19NO6/c1-10-8-13(19)15(17(2,3)9-14(10)20)24-16(21)11-4-6-12(7-5-11)18(22)23/h4-8,13,15,19H,9H2,1-3H3