4-bromanyl-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-bromanyl-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-bromo-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-bromo-2-[[4-(4-morpholin-4-iumylmethyl)phenyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-bromo-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-bromo-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]-6-nitro-phenolate Formula: C18H18BrN3O4 MolecularWeight: 420.25722

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Br

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C18H18BrN3O4/c19-15-9-14(18(23)17(10-15)22(24)25)11-20-16-3-1-13(2-4-16)12-21-5-7-26-8-6-21/h1-4,9-11,23H,5-8,12H2