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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Cl

InChI

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