2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)iminomethyl]-4-nitro-phenolate Openeye Name: 2-[(2,5-diethoxy-4-morpholino-phenyl)iminomethyl]-4-nitro-phenolate CAS Name: 2-[[2,5-diethoxy-4-(4-morpholinyl)phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[(2,5-diethoxy-4-morpholin-4-ylphenyl)iminomethyl]-4-nitrophenolate Traditional Name: 2-[(2,5-diethoxy-4-morpholino-phenyl)iminomethyl]-4-nitro-phenolate Formula: C21H24N3O6- MolecularWeight: 414.43176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])OCC)N3CCOCC3

Isomeric SMILES

CCOC1=CC(=C(C=C1N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])OCC)N3CCOCC3

InChI

InChI=1S/C21H25N3O6/c1-3-29-20-13-18(23-7-9-28-10-8-23)21(30-4-2)12-17(20)22-14-15-11-16(24(26)27)5-6-19(15)25/h5-6,11-14,25H,3-4,7-10H2,1-2H3/p-1