(2E,6S)-2-[[4-methoxy-3-[(4-nitrophenyl)methoxy]phenyl]methylidene]-6-methyl-cyclohexan-1-one

Systemtic Name: (2E,6S)-2-[[4-methoxy-3-[(4-nitrophenyl)methoxy]phenyl]methylidene]-6-methyl-cyclohexan-1-one Openeye Name: (2E,6S)-2-[[4-methoxy-3-[(4-nitrophenyl)methoxy]phenyl]methylene]-6-methyl-cyclohexanone CAS Name: (2E,6S)-2-[[4-methoxy-3-[(4-nitrophenyl)methoxy]phenyl]methylidene]-6-methyl-1-cyclohexanone IUPAC Name: (2E,6S)-2-[[4-methoxy-3-[(4-nitrophenyl)methoxy]phenyl]methylidene]-6-methylcyclohexan-1-one Traditional Name: (2E,6S)-2-[4-methoxy-3-(4-nitrobenzyl)oxy-benzylidene]-6-methyl-cyclohexanone Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=CC2=CC(=C(C=C2)OC)OCC3=CC=C(C=C3)[N+](=O)[O-])C1=O

Isomeric SMILES

C[C@H]1CCC/C(=C\C2=CC(=C(C=C2)OC)OCC3=CC=C(C=C3)[N+](=O)[O-])/C1=O

InChI

InChI=1S/C22H23NO5/c1-15-4-3-5-18(22(15)24)12-17-8-11-20(27-2)21(13-17)28-14-16-6-9-19(10-7-16)23(25)26/h6-13,15H,3-5,14H2,1-2H3/b18-12+/t15-/m0/s1