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

Systemtic Name: 2-[[4-chloranyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitro-phenolate Openeye Name: 2-[[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitrophenolate IUPAC Name: 2-[[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 2-[[4-chloro-3-(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=C(C=CC(=C3)N=CC4=C(C(=CC=C4)[N+](=O)[O-])[O-])Cl

Isomeric SMILES

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

InChI

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