2-[(E)-2-[2-(3,4-dimethoxyphenyl)ethylamino]prop-1-enyl]-3-nitro-1-benzofuran-5-ol

Systemtic Name: 2-[(E)-2-[2-(3,4-dimethoxyphenyl)ethylamino]prop-1-enyl]-3-nitro-1-benzofuran-5-ol Openeye Name: 2-[(E)-2-[2-(3,4-dimethoxyphenyl)ethylamino]prop-1-enyl]-3-nitro-benzofuran-5-ol CAS Name: 2-[(E)-2-[2-(3,4-dimethoxyphenyl)ethylamino]prop-1-enyl]-3-nitro-5-benzofuranol IUPAC Name: 2-[(E)-2-[2-(3,4-dimethoxyphenyl)ethylamino]prop-1-enyl]-3-nitro-1-benzofuran-5-ol Traditional Name: 2-[(E)-2-(homoveratrylamino)prop-1-enyl]-3-nitro-benzofuran-5-ol Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C2=C(O1)C=CC(=C2)O)[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C/C(=C\C1=C(C2=C(O1)C=CC(=C2)O)[N+](=O)[O-])/NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N2O6/c1-13(22-9-8-14-4-6-18(27-2)19(11-14)28-3)10-20-21(23(25)26)16-12-15(24)5-7-17(16)29-20/h4-7,10-12,22,24H,8-9H2,1-3H3/b13-10+