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

Systemtic Name: 4-[(2Z,3R)-2-[2-(1-bromanylnaphthalen-2-yl)oxyethylidene]-5-nitro-3H-1-benzofuran-3-yl]morpholin-4-ium Openeye Name: 4-[(2Z,3R)-2-[2-[(1-bromo-2-naphthyl)oxy]ethylidene]-5-nitro-3H-benzofuran-3-yl]morpholin-4-ium CAS Name: 4-[(2Z,3R)-2-[2-[(1-bromo-2-naphthalenyl)oxy]ethylidene]-5-nitro-3H-benzofuran-3-yl]morpholin-4-ium IUPAC Name: 4-[(2Z,3R)-2-[2-(1-bromonaphthalen-2-yl)oxyethylidene]-5-nitro-3H-1-benzofuran-3-yl]morpholin-4-ium Traditional Name: 4-[(2Z,3R)-2-[2-(1-bromo-2-naphthoxy)ethylidene]-5-nitro-coumaran-3-yl]morpholin-4-ium Formula: C24H22BrN2O5+ MolecularWeight: 498.34588

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=CCOC4=C(C5=CC=CC=C5C=C4)Br

Isomeric SMILES

C1COCC[NH+]1[C@@H]\2C3=C(C=CC(=C3)[N+](=O)[O-])O/C2=C\COC4=C(C5=CC=CC=C5C=C4)Br

InChI

InChI=1S/C24H21BrN2O5/c25-23-18-4-2-1-3-16(18)5-7-21(23)31-12-9-22-24(26-10-13-30-14-11-26)19-15-17(27(28)29)6-8-20(19)32-22/h1-9,15,24H,10-14H2/p+1/b22-9-/t24-/m1/s1