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

Systemtic Name: 2-[[4-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-methoxy-4-nitro-phenolate Formula: C21H13ClN3O5- MolecularWeight: 422.79802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)Cl)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)Cl)[O-]

InChI

InChI=1S/C21H14ClN3O5/c1-29-19-10-16(25(27)28)8-13(20(19)26)11-23-15-5-2-12(3-6-15)21-24-17-9-14(22)4-7-18(17)30-21/h2-11,26H,1H3/p-1