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

Systemtic Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl]prop-2-en-1-one Openeye Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl]prop-2-en-1-one CAS Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl]-2-propen-1-one IUPAC Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl]prop-2-en-1-one Traditional Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl]prop-2-en-1-one Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C23CC4CC(C2)CC(C4)C3)COC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C23CC4CC(C2)CC(C4)C3)COC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H29NO5/c1-32-25-8-2-18(13-22(25)17-33-24-6-4-23(5-7-24)28(30)31)3-9-26(29)27-14-19-10-20(15-27)12-21(11-19)16-27/h2-9,13,19-21H,10-12,14-17H2,1H3/b9-3+