(E)-1-(4-chloranyl-3-nitro-phenyl)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-chloranyl-3-nitro-phenyl)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-chloro-3-nitro-phenyl)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]prop-2-en-1-one CAS Name: (E)-1-(4-chloro-3-nitrophenyl)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-propen-1-one IUPAC Name: (E)-1-(4-chloro-3-nitrophenyl)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-en-1-one Traditional Name: (E)-1-(4-chloro-3-nitro-phenyl)-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]prop-2-en-1-one Formula: C20H18ClNO5 MolecularWeight: 387.81362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=CC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C/C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])O[C@H](C2)C

InChI

InChI=1S/C20H18ClNO5/c1-3-26-19-11-15-8-12(2)27-20(15)10-14(19)5-7-18(23)13-4-6-16(21)17(9-13)22(24)25/h4-7,9-12H,3,8H2,1-2H3/b7-5+/t12-/m0/s1