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

Systemtic Name: 2-methoxy-6-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-methoxy-6-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-methoxy-6-[[4-(4-morpholin-4-iumylmethyl)phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-methoxy-6-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-methoxy-6-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]-4-nitro-phenolate Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)C[NH+]3CCOCC3)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)C[NH+]3CCOCC3)[O-]

InChI

InChI=1S/C19H21N3O5/c1-26-18-11-17(22(24)25)10-15(19(18)23)12-20-16-4-2-14(3-5-16)13-21-6-8-27-9-7-21/h2-5,10-12,23H,6-9,13H2,1H3