4-[5-nitro-2-[2-(4-nitrophenoxy)ethylidene]-3H-1-benzofuran-3-yl]morpholin-4-ium

Systemtic Name: 4-[5-nitro-2-[2-(4-nitrophenoxy)ethylidene]-3H-1-benzofuran-3-yl]morpholin-4-ium Openeye Name: 4-[5-nitro-2-[2-(4-nitrophenoxy)ethylidene]-3H-benzofuran-3-yl]morpholin-4-ium CAS Name: 4-[5-nitro-2-[2-(4-nitrophenoxy)ethylidene]-3H-benzofuran-3-yl]morpholin-4-ium IUPAC Name: 4-[5-nitro-2-[2-(4-nitrophenoxy)ethylidene]-3H-1-benzofuran-3-yl]morpholin-4-ium Traditional Name: 4-[5-nitro-2-[2-(4-nitrophenoxy)ethylidene]coumaran-3-yl]morpholin-4-ium Formula: C20H20N3O7+ MolecularWeight: 414.3887

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O7/c24-22(25)14-1-4-16(5-2-14)29-10-7-19-20(21-8-11-28-12-9-21)17-13-15(23(26)27)3-6-18(17)30-19/h1-7,13,20H,8-12H2/p+1