N-[(E)-[2-(azepan-1-yl)-5-nitro-phenyl]methylideneamino]-2-(4-tert-butylphenoxy)ethanamide

Systemtic Name: N-[(E)-[2-(azepan-1-yl)-5-nitro-phenyl]methylideneamino]-2-(4-tert-butylphenoxy)ethanamide Openeye Name: N-[(E)-[2-(azepan-1-yl)-5-nitro-phenyl]methyleneamino]-2-(4-tert-butylphenoxy)acetamide CAS Name: N-[(E)-[2-(1-azepanyl)-5-nitrophenyl]methylideneamino]-2-(4-tert-butylphenoxy)acetamide IUPAC Name: N-[(E)-[2-(azepan-1-yl)-5-nitrophenyl]methylideneamino]-2-(4-tert-butylphenoxy)acetamide Traditional Name: N-[(E)-[2-(azepan-1-yl)-5-nitro-benzylidene]amino]-2-(4-tert-butylphenoxy)acetamide Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)N/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C25H32N4O4/c1-25(2,3)20-8-11-22(12-9-20)33-18-24(30)27-26-17-19-16-21(29(31)32)10-13-23(19)28-14-6-4-5-7-15-28/h8-13,16-17H,4-7,14-15,18H2,1-3H3,(H,27,30)/b26-17+