4-[(2Z,3R)-5-nitro-2-(phenylmethylidene)-3H-1-benzofuran-3-yl]morpholin-4-ium

Systemtic Name: 4-[(2Z,3R)-5-nitro-2-(phenylmethylidene)-3H-1-benzofuran-3-yl]morpholin-4-ium Openeye Name: 4-[(2Z,3R)-2-benzylidene-5-nitro-3H-benzofuran-3-yl]morpholin-4-ium CAS Name: 4-[(2Z,3R)-5-nitro-2-(phenylmethylene)-3H-benzofuran-3-yl]morpholin-4-ium IUPAC Name: 4-[(2Z,3R)-2-benzylidene-5-nitro-3H-1-benzofuran-3-yl]morpholin-4-ium Traditional Name: 4-[(2Z,3R)-2-benzal-5-nitro-coumaran-3-yl]morpholin-4-ium Formula: C19H19N2O4+ MolecularWeight: 339.36516

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1[C@@H]\2C3=C(C=CC(=C3)[N+](=O)[O-])O/C2=C\C4=CC=CC=C4

InChI

InChI=1S/C19H18N2O4/c22-21(23)15-6-7-17-16(13-15)19(20-8-10-24-11-9-20)18(25-17)12-14-4-2-1-3-5-14/h1-7,12-13,19H,8-11H2/p+1/b18-12-/t19-/m1/s1