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

Systemtic Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Openeye Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-1-(4-methyl-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-(4-methyl-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-4-26-20-12-17-9-14(3)27-21(17)11-16(20)7-8-19(23)15-6-5-13(2)18(10-15)22(24)25/h5-8,10-12,14H,4,9H2,1-3H3/b8-7+/t14-/m0/s1