1-methoxy-4-[(3E,5E)-2-methylhepta-3,5-dien-3-yl]benzene; (4-nitrophenyl) hydrogen carbonate

Systemtic Name: 1-methoxy-4-[(3E,5E)-2-methylhepta-3,5-dien-3-yl]benzene; (4-nitrophenyl) hydrogen carbonate Openeye Name: 1-[(1E,3E)-1-isopropylpenta-1,3-dienyl]-4-methoxy-benzene; (4-nitrophenyl) hydrogen carbonate CAS Name: carbonic acid (4-nitrophenyl) ester; 1-methoxy-4-[(3E,5E)-2-methylhepta-3,5-dien-3-yl]benzene IUPAC Name: 1-methoxy-4-[(3E,5E)-2-methylhepta-3,5-dien-3-yl]benzene; (4-nitrophenyl) hydrogen carbonate Traditional Name: carbonic acid (4-nitrophenyl) ester; 1-[(1E,3E)-1-isopropylpenta-1,3-dienyl]-4-methoxy-benzene Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/C=C(/C1=CC=C(C=C1)OC)\C(C)C.C1=CC(=CC=C1[N+](=O)[O-])OC(=O)O

InChI

InChI=1S/C15H20O.C7H5NO5/c1-5-6-7-15(12(2)3)13-8-10-14(16-4)11-9-13;9-7(10)13-6-3-1-5(2-4-6)8(11)12/h5-12H,1-4H3;1-4H,(H,9,10)/b6-5+,15-7+;