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

Systemtic Name: 2-methyl-6-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-methyl-6-[[2-(m-tolyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate CAS Name: 2-methyl-6-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-methyl-6-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate Traditional Name: 2-methyl-6-[[2-(m-tolyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate Formula: C22H16N3O4- MolecularWeight: 386.38014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=CC(=C4[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=CC(=C4[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O4/c1-13-4-3-5-15(8-13)22-24-19-11-17(6-7-20(19)29-22)23-12-16-10-18(25(27)28)9-14(2)21(16)26/h3-12,26H,1-2H3/p-1