1-methoxy-4-[(1E,3E)-penta-1,3-dienyl]benzene; (4-nitrophenyl) hydrogen carbonate

Systemtic Name: 1-methoxy-4-[(1E,3E)-penta-1,3-dienyl]benzene; (4-nitrophenyl) hydrogen carbonate Openeye Name: 1-methoxy-4-[(1E,3E)-penta-1,3-dienyl]benzene; (4-nitrophenyl) hydrogen carbonate CAS Name: carbonic acid (4-nitrophenyl) ester; 1-methoxy-4-[(1E,3E)-penta-1,3-dienyl]benzene IUPAC Name: 1-methoxy-4-[(1E,3E)-penta-1,3-dienyl]benzene; (4-nitrophenyl) hydrogen carbonate Traditional Name: carbonic acid (4-nitrophenyl) ester; 1-methoxy-4-[(1E,3E)-penta-1,3-dienyl]benzene Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC1=CC=C(C=C1)OC.C1=CC(=CC=C1[N+](=O)[O-])OC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H14O.C7H5NO5/c1-3-4-5-6-11-7-9-12(13-2)10-8-11;9-7(10)13-6-3-1-5(2-4-6)8(11)12/h3-10H,1-2H3;1-4H,(H,9,10)/b4-3+,6-5+;