(2,5,5-trimethyl-6-oxidanyl-3-oxidanylidene-cyclohepten-1-yl) 4-nitrobenzoate

Systemtic Name: (2,5,5-trimethyl-6-oxidanyl-3-oxidanylidene-cyclohepten-1-yl) 4-nitrobenzoate Openeye Name: (6-hydroxy-2,5,5-trimethyl-3-oxo-cyclohepten-1-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (6-hydroxy-2,5,5-trimethyl-3-oxo-1-cycloheptenyl) ester IUPAC Name: (6-hydroxy-2,5,5-trimethyl-3-oxocyclohepten-1-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (6-hydroxy-3-keto-2,5,5-trimethyl-cyclohepten-1-yl) ester Formula: C17H19NO6 MolecularWeight: 333.33586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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