(4-nitrophenyl) (E)-3-[4-(diethylamino)-2-oxidanyl-phenyl]but-2-enoate

Systemtic Name: (4-nitrophenyl) (E)-3-[4-(diethylamino)-2-oxidanyl-phenyl]but-2-enoate Openeye Name: (4-nitrophenyl) (E)-3-[4-(diethylamino)-2-hydroxy-phenyl]but-2-enoate CAS Name: (E)-3-[4-(diethylamino)-2-hydroxyphenyl]-2-butenoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (E)-3-[4-(diethylamino)-2-hydroxyphenyl]but-2-enoate Traditional Name: (E)-3-[4-(diethylamino)-2-hydroxy-phenyl]but-2-enoic acid (4-nitrophenyl) ester Formula: C20H22N2O5 MolecularWeight: 370.39908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C(=CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C)O

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)/C(=C/C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])/C)O

InChI

InChI=1S/C20H22N2O5/c1-4-21(5-2)16-8-11-18(19(23)13-16)14(3)12-20(24)27-17-9-6-15(7-10-17)22(25)26/h6-13,23H,4-5H2,1-3H3/b14-12+