2-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-4-nitro-phenolate Formula: C23H18N3O4- MolecularWeight: 400.40672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC(=CC(=C3O2)C)C)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC(=CC(=C3O2)C)C)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C23H19N3O4/c1-13-8-15(3)22-20(9-13)25-23(30-22)16-5-4-14(2)19(11-16)24-12-17-10-18(26(28)29)6-7-21(17)27/h4-12,27H,1-3H3/p-1