2-(4-bromanyl-2,6-dimethyl-phenoxy)-N-[(Z)-(2-nitro-5-oxidanyl-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-(4-bromanyl-2,6-dimethyl-phenoxy)-N-[(Z)-(2-nitro-5-oxidanyl-phenyl)methylideneamino]ethanamide Openeye Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-N-[(Z)-(5-hydroxy-2-nitro-phenyl)methyleneamino]acetamide CAS Name: 2-(4-bromo-2,6-dimethylphenoxy)-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-(4-bromo-2,6-dimethylphenoxy)-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-N-[(Z)-(5-hydroxy-2-nitro-benzylidene)amino]acetamide Formula: C34H32Br2N6O10 MolecularWeight: 844.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NN=CC2=C(C=CC(=C2)O)[N+](=O)[O-])C)Br.CC1=CC(=CC(=C1OCC(=O)NN=CC2=C(C=CC(=C2)O)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)N/N=C\C2=C(C=CC(=C2)O)[N+](=O)[O-])C)Br.CC1=CC(=CC(=C1OCC(=O)N/N=C\C2=C(C=CC(=C2)O)[N+](=O)[O-])C)Br

InChI

InChI=1S/2C17H16BrN3O5/c2*1-10-5-13(18)6-11(2)17(10)26-9-16(23)20-19-8-12-7-14(22)3-4-15(12)21(24)25/h2*3-8,22H,9H2,1-2H3,(H,20,23)/b2*19-8-