4-[(4-tert-butylphenoxy)methyl]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide

Systemtic Name: 4-[(4-tert-butylphenoxy)methyl]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide Openeye Name: 4-[(4-tert-butylphenoxy)methyl]-N-[(E)-(5-nitro-2-furyl)methyleneamino]benzamide CAS Name: 4-[(4-tert-butylphenoxy)methyl]-N-[(E)-(5-nitro-2-furanyl)methylideneamino]benzamide IUPAC Name: 4-[(4-tert-butylphenoxy)methyl]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide Traditional Name: 4-[(4-tert-butylphenoxy)methyl]-N-[(E)-(5-nitro-2-furyl)methyleneamino]benzamide Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NN=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O5/c1-23(2,3)18-8-10-19(11-9-18)30-15-16-4-6-17(7-5-16)22(27)25-24-14-20-12-13-21(31-20)26(28)29/h4-14H,15H2,1-3H3,(H,25,27)/b24-14+