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

Systemtic Name: 2-[[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate Openeye Name: 4-benzyl-2-[[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate IUPAC Name: 4-benzyl-2-[[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-benzyl-2-[[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitro-phenolate Formula: C28H20N3O4- MolecularWeight: 462.4761

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=CC=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=CC=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C28H21N3O4/c1-18-10-11-24-26(12-18)35-28(30-24)21-8-5-9-23(16-21)29-17-22-14-20(13-19-6-3-2-4-7-19)15-25(27(22)32)31(33)34/h2-12,14-17,32H,13H2,1H3/p-1