(E,3R,4S)-4-methyl-5,8-bis(oxidanylidene)-3-phenylmethoxy-non-6-enenitrile

Systemtic Name: (E,3R,4S)-4-methyl-5,8-bis(oxidanylidene)-3-phenylmethoxy-non-6-enenitrile Openeye Name: (E,3R,4S)-3-benzyloxy-4-methyl-5,8-dioxo-non-6-enenitrile CAS Name: (E,3R,4S)-4-methyl-5,8-dioxo-3-phenylmethoxy-6-nonenenitrile IUPAC Name: (E,3R,4S)-4-methyl-5,8-dioxo-3-phenylmethoxynon-6-enenitrile Traditional Name: (E,3R,4S)-3-benzoxy-5,8-diketo-4-methyl-non-6-enenitrile Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC#N)OCC1=CC=CC=C1)C(=O)C=CC(=O)C

Isomeric SMILES

C[C@@H]([C@@H](CC#N)OCC1=CC=CC=C1)C(=O)/C=C/C(=O)C

InChI

InChI=1S/C17H19NO3/c1-13(19)8-9-16(20)14(2)17(10-11-18)21-12-15-6-4-3-5-7-15/h3-9,14,17H,10,12H2,1-2H3/b9-8+/t14-,17-/m1/s1