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

Systemtic Name: 2-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methyl-4-nitro-phenolate Openeye Name: 2-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methyl-4-nitro-phenolate CAS Name: 2-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methyl-4-nitrophenolate IUPAC Name: 2-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methyl-4-nitrophenolate Traditional Name: 2-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methyl-4-nitro-phenolate Formula: C21H13ClN3O4- MolecularWeight: 406.79862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Cl)[O-]

Isomeric SMILES

CC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Cl)[O-]

InChI

InChI=1S/C21H14ClN3O4/c1-12-8-15(25(27)28)9-13(20(12)26)11-23-14-6-7-19-18(10-14)24-21(29-19)16-4-2-3-5-17(16)22/h2-11,26H,1H3/p-1