[(1R,3S)-3-methyl-2-oxidanylidene-3-phenyl-cyclopentyl] 4-nitrobenzoate

Systemtic Name: [(1R,3S)-3-methyl-2-oxidanylidene-3-phenyl-cyclopentyl] 4-nitrobenzoate Openeye Name: [(1R,3S)-3-methyl-2-oxo-3-phenyl-cyclopentyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,3S)-3-methyl-2-oxo-3-phenylcyclopentyl] ester IUPAC Name: [(1R,3S)-3-methyl-2-oxo-3-phenylcyclopentyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,3S)-2-keto-3-methyl-3-phenyl-cyclopentyl] ester Formula: C19H17NO5 MolecularWeight: 339.34198

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C1=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C[C@]1(CC[C@H](C1=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H17NO5/c1-19(14-5-3-2-4-6-14)12-11-16(17(19)21)25-18(22)13-7-9-15(10-8-13)20(23)24/h2-10,16H,11-12H2,1H3/t16-,19+/m1/s1