(phenylmethyl) (E)-5-(4-nitrophenyl)-3-oxidanyl-3-propan-2-yl-pent-4-enoate

Systemtic Name: (phenylmethyl) (E)-5-(4-nitrophenyl)-3-oxidanyl-3-propan-2-yl-pent-4-enoate Openeye Name: benzyl (E)-3-hydroxy-3-isopropyl-5-(4-nitrophenyl)pent-4-enoate CAS Name: (E)-3-hydroxy-5-(4-nitrophenyl)-3-propan-2-yl-4-pentenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-3-hydroxy-5-(4-nitrophenyl)-3-propan-2-ylpent-4-enoate Traditional Name: (E)-3-hydroxy-3-isopropyl-5-(4-nitrophenyl)pent-4-enoic acid benzyl ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)OCC1=CC=CC=C1)(C=CC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)C(CC(=O)OCC1=CC=CC=C1)(/C=C/C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

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