ethyl (E,4R,6S)-4-[(4-nitrophenyl)methyl]-6-oxidanyl-6-phenyl-hex-2-enoate

Systemtic Name: ethyl (E,4R,6S)-4-[(4-nitrophenyl)methyl]-6-oxidanyl-6-phenyl-hex-2-enoate Openeye Name: ethyl (E,4R,6S)-6-hydroxy-4-[(4-nitrophenyl)methyl]-6-phenyl-hex-2-enoate CAS Name: (E,4R,6S)-6-hydroxy-4-[(4-nitrophenyl)methyl]-6-phenyl-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E,4R,6S)-6-hydroxy-4-[(4-nitrophenyl)methyl]-6-phenylhex-2-enoate Traditional Name: (E,4R,6S)-6-hydroxy-4-(4-nitrobenzyl)-6-phenyl-hex-2-enoic acid ethyl ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CC1=CC=C(C=C1)[N+](=O)[O-])CC(C2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])C[C@@H](C2=CC=CC=C2)O

InChI

InChI=1S/C21H23NO5/c1-2-27-21(24)13-10-17(15-20(23)18-6-4-3-5-7-18)14-16-8-11-19(12-9-16)22(25)26/h3-13,17,20,23H,2,14-15H2,1H3/b13-10+/t17-,20+/m1/s1