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

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

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])CC5=CC=CC=C5

InChI

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