N-[(E)-(5-nitro-2-piperidin-1-yl-phenyl)methylideneamino]-2-(4-pentan-3-ylphenoxy)ethanamide

Systemtic Name: N-[(E)-(5-nitro-2-piperidin-1-yl-phenyl)methylideneamino]-2-(4-pentan-3-ylphenoxy)ethanamide Openeye Name: 2-[4-(1-ethylpropyl)phenoxy]-N-[(E)-[5-nitro-2-(1-piperidyl)phenyl]methyleneamino]acetamide CAS Name: N-[(E)-[5-nitro-2-(1-piperidinyl)phenyl]methylideneamino]-2-(4-pentan-3-ylphenoxy)acetamide IUPAC Name: N-[(E)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]-2-(4-pentan-3-ylphenoxy)acetamide Traditional Name: 2-[4-(1-ethylpropyl)phenoxy]-N-[(E)-(5-nitro-2-piperidino-benzylidene)amino]acetamide Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=C(C=C1)OCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CCC(CC)C1=CC=C(C=C1)OCC(=O)N/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

InChI

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