[(1S,5S)-5-phenylcyclohex-2-en-1-yl] 4-nitrobenzoate

Systemtic Name: [(1S,5S)-5-phenylcyclohex-2-en-1-yl] 4-nitrobenzoate Openeye Name: [(1S,5S)-5-phenylcyclohex-2-en-1-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S,5S)-5-phenyl-1-cyclohex-2-enyl] ester IUPAC Name: [(1S,5S)-5-phenylcyclohex-2-en-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,5S)-5-phenylcyclohex-2-en-1-yl] ester Formula: C19H17NO4 MolecularWeight: 323.34258

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(CC1C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C=C[C@H](C[C@H]1C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17NO4/c21-19(15-9-11-17(12-10-15)20(22)23)24-18-8-4-7-16(13-18)14-5-2-1-3-6-14/h1-6,8-12,16,18H,7,13H2/t16-,18+/m0/s1