4-(2-bromanyl-4-tert-butyl-phenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]butanamide

Systemtic Name: 4-(2-bromanyl-4-tert-butyl-phenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]butanamide Openeye Name: 4-(2-bromo-4-tert-butyl-phenoxy)-N-[(E)-(4-nitrophenyl)methyleneamino]butanamide CAS Name: 4-(2-bromo-4-tert-butylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]butanamide IUPAC Name: 4-(2-bromo-4-tert-butylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]butanamide Traditional Name: 4-(2-bromo-4-tert-butyl-phenoxy)-N-[(E)-(4-nitrobenzylidene)amino]butyramide Formula: C21H24BrN3O4 MolecularWeight: 462.33696

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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)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O4/c1-21(2,3)16-8-11-19(18(22)13-16)29-12-4-5-20(26)24-23-14-15-6-9-17(10-7-15)25(27)28/h6-11,13-14H,4-5,12H2,1-3H3,(H,24,26)/b23-14+