[3-oxidanylidene-3-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]propyl] 4-nitrobenzoate

Systemtic Name: [3-oxidanylidene-3-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]propyl] 4-nitrobenzoate Openeye Name: [3-oxo-3-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-oxo-3-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]propyl] ester IUPAC Name: [3-oxo-3-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]propyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-keto-3-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]propyl] ester Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C1(C)C)(C)C(=O)CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CC[C@](C1(C)C)(C)C(=O)CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H25NO5/c1-13-9-11-19(4,18(13,2)3)16(21)10-12-25-17(22)14-5-7-15(8-6-14)20(23)24/h5-8,13H,9-12H2,1-4H3/t13-,19+/m0/s1