2-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate

Systemtic Name: 2-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate Openeye Name: 4-benzyl-2-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate IUPAC Name: 4-benzyl-2-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-benzyl-2-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitro-phenolate Formula: C29H22N3O4- MolecularWeight: 476.50268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C29H23N3O4/c1-2-19-8-13-27-25(16-19)31-29(36-27)22-9-11-24(12-10-22)30-18-23-15-21(14-20-6-4-3-5-7-20)17-26(28(23)33)32(34)35/h3-13,15-18,33H,2,14H2,1H3/p-1