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

Systemtic Name: 2-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4-nitro-phenolate Formula: C22H16N3O4- MolecularWeight: 386.38014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=CC=C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=CC=C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-])C

InChI

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