[(Z,3S,4S)-3-methyl-4-oxidanyl-4-phenyl-but-1-enyl] 4-nitrobenzoate

Systemtic Name: [(Z,3S,4S)-3-methyl-4-oxidanyl-4-phenyl-but-1-enyl] 4-nitrobenzoate Openeye Name: [(Z,3S,4S)-4-hydroxy-3-methyl-4-phenyl-but-1-enyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(Z,3S,4S)-4-hydroxy-3-methyl-4-phenylbut-1-enyl] ester IUPAC Name: [(Z,3S,4S)-4-hydroxy-3-methyl-4-phenylbut-1-enyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(Z,3S,4S)-4-hydroxy-3-methyl-4-phenyl-but-1-enyl] ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5/c1-13(17(20)14-5-3-2-4-6-14)11-12-24-18(21)15-7-9-16(10-8-15)19(22)23/h2-13,17,20H,1H3/b12-11-/t13-,17-/m0/s1