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

Systemtic Name: 2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[4-(4-morpholin-4-iumylmethyl)phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]-4-nitro-phenolate Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4/c22-18-6-5-17(21(23)24)11-15(18)12-19-16-3-1-14(2-4-16)13-20-7-9-25-10-8-20/h1-6,11-12,22H,7-10,13H2