2-[[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-methoxy-4-nitro-phenolate

Systemtic Name: 2-[[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-methoxy-4-nitro-phenolate Formula: C25H22N3O5- MolecularWeight: 444.45928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)N=CC4=CC(=CC(=C4[O-])OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)N=CC4=CC(=CC(=C4[O-])OC)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O5/c1-25(2,3)17-7-10-21-20(12-17)27-24(33-21)15-5-8-18(9-6-15)26-14-16-11-19(28(30)31)13-22(32-4)23(16)29/h5-14,29H,1-4H3/p-1