4-(2-bromanyl-4-tert-butyl-phenoxy)-N-[(E)-(4-methoxy-3-nitro-phenyl)methylideneamino]butanamide

Systemtic Name: 4-(2-bromanyl-4-tert-butyl-phenoxy)-N-[(E)-(4-methoxy-3-nitro-phenyl)methylideneamino]butanamide Openeye Name: 4-(2-bromo-4-tert-butyl-phenoxy)-N-[(E)-(4-methoxy-3-nitro-phenyl)methyleneamino]butanamide CAS Name: 4-(2-bromo-4-tert-butylphenoxy)-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]butanamide IUPAC Name: 4-(2-bromo-4-tert-butylphenoxy)-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]butanamide Traditional Name: 4-(2-bromo-4-tert-butyl-phenoxy)-N-[(E)-(4-methoxy-3-nitro-benzylidene)amino]butyramide Formula: C22H26BrN3O5 MolecularWeight: 492.36294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NN=CC2=CC(=C(C=C2)OC)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)N/N=C/C2=CC(=C(C=C2)OC)[N+](=O)[O-])Br

InChI

InChI=1S/C22H26BrN3O5/c1-22(2,3)16-8-10-19(17(23)13-16)31-11-5-6-21(27)25-24-14-15-7-9-20(30-4)18(12-15)26(28)29/h7-10,12-14H,5-6,11H2,1-4H3,(H,25,27)/b24-14+