1-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-naphthalen-2-olate

Systemtic Name: 1-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-naphthalen-2-olate Openeye Name: 1-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-naphthalen-2-olate CAS Name: 1-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-2-naphthalenolate IUPAC Name: 1-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitronaphthalen-2-olate Traditional Name: 1-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-naphthalen-2-olate Formula: C28H22N3O4- MolecularWeight: 464.49198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=C(C=CC5=C4C=CC(=C5)[N+](=O)[O-])[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=C(C=CC5=C4C=CC(=C5)[N+](=O)[O-])[O-]

InChI

InChI=1S/C28H23N3O4/c1-28(2,3)19-7-4-17(5-8-19)27-30-24-15-20(9-13-26(24)35-27)29-16-23-22-11-10-21(31(33)34)14-18(22)6-12-25(23)32/h4-16,32H,1-3H3/p-1