2-[(E)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]-5-nitro-1,3-benzoxazole

Systemtic Name: 2-[(E)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]-5-nitro-1,3-benzoxazole Openeye Name: 2-[(E)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]vinyl]-5-nitro-1,3-benzoxazole CAS Name: 2-[(E)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]ethenyl]-5-nitro-1,3-benzoxazole IUPAC Name: 2-[(E)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]-5-nitro-1,3-benzoxazole Traditional Name: 2-[(E)-2-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]vinyl]-5-nitro-1,3-benzoxazole Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=CC3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-])OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C/C3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-])O[C@H](C2)C

InChI

InChI=1S/C20H18N2O5/c1-3-25-18-10-14-8-12(2)26-19(14)9-13(18)4-7-20-21-16-11-15(22(23)24)5-6-17(16)27-20/h4-7,9-12H,3,8H2,1-2H3/b7-4+/t12-/m0/s1