4-chloranyl-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyliminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[4-(morpholin-4-ium-4-ylmethyl)benzyl]iminomethyl]-6-nitro-phenolate Formula: C19H20ClN3O4 MolecularWeight: 389.8328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O4/c20-17-9-16(19(24)18(10-17)23(25)26)12-21-11-14-1-3-15(4-2-14)13-22-5-7-27-8-6-22/h1-4,9-10,12,24H,5-8,11,13H2