(E,4R)-4-(4-nitrophenyl)carbonyloxyhept-5-enoic acid

Systemtic Name: (E,4R)-4-(4-nitrophenyl)carbonyloxyhept-5-enoic acid Openeye Name: (E,4R)-4-(4-nitrobenzoyl)oxyhept-5-enoic acid CAS Name: (E,4R)-4-[(4-nitrophenyl)-oxomethoxy]-5-heptenoic acid IUPAC Name: (E,4R)-4-(4-nitrobenzoyl)oxyhept-5-enoic acid Traditional Name: (E,4R)-4-(4-nitrobenzoyl)oxyhept-5-enoic acid Formula: C14H15NO6 MolecularWeight: 293.272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO6/c1-2-3-12(8-9-13(16)17)21-14(18)10-4-6-11(7-5-10)15(19)20/h2-7,12H,8-9H2,1H3,(H,16,17)/b3-2+/t12-/m0/s1