(E)-1-(1-adamantyl)-3-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]prop-2-en-1-one Openeye Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]prop-2-en-1-one CAS Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-2-propen-1-one IUPAC Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]prop-2-en-1-one Traditional Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]prop-2-en-1-one Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C=CC(=O)C34CC5CC(C3)CC(C5)C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)/C=C/C(=O)C34CC5CC(C3)CC(C5)C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C28H31NO5/c1-18-9-24(5-6-25(18)29(31)32)34-17-23-13-19(3-7-26(23)33-2)4-8-27(30)28-14-20-10-21(15-28)12-22(11-20)16-28/h3-9,13,20-22H,10-12,14-17H2,1-2H3/b8-4+