lanthanum(3+); N-[(E)-(7-methoxy-4-oxidanylidene-chromen-3-yl)methylideneamino]-4-oxidanyl-benzamide; trinitrate

Systemtic Name: lanthanum(3+); N-[(E)-(7-methoxy-4-oxidanylidene-chromen-3-yl)methylideneamino]-4-oxidanyl-benzamide; trinitrate Openeye Name: 4-hydroxy-N-[(E)-(7-methoxy-4-oxo-chromen-3-yl)methyleneamino]benzamide; lanthanum(3+); trinitrate CAS Name: 4-hydroxy-N-[(E)-(7-methoxy-4-oxo-1-benzopyran-3-yl)methylideneamino]benzamide; lanthanum(3+); trinitrate IUPAC Name: 4-hydroxy-N-[(E)-(7-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide; lanthanum(3+); trinitrate Traditional Name: 4-hydroxy-N-[(E)-(4-keto-7-methoxy-chromen-3-yl)methyleneamino]benzamide; lanthanum(3+); trinitrate Formula: C36H28LaN7O19 MolecularWeight: 1001.54852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)C(=CO2)C=NNC(=O)C3=CC=C(C=C3)O.COC1=CC2=C(C=C1)C(=O)C(=CO2)C=NNC(=O)C3=CC=C(C=C3)O.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[La+3]

Isomeric SMILES

COC1=CC2=C(C(=O)C(=CO2)/C=N/NC(=O)C3=CC=C(C=C3)O)C=C1.COC1=CC2=C(C(=O)C(=CO2)/C=N/NC(=O)C3=CC=C(C=C3)O)C=C1.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[La+3]

InChI

InChI=1S/2C18H14N2O5.La.3NO3/c2*1-24-14-6-7-15-16(8-14)25-10-12(17(15)22)9-19-20-18(23)11-2-4-13(21)5-3-11;;3*2-1(3)4/h2*2-10,21H,1H3,(H,20,23);;;;/q;;+3;3*-1/b2*19-9+;;;;