N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-2-(4-octoxyphenoxy)ethanamide

Systemtic Name: N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-2-(4-octoxyphenoxy)ethanamide Openeye Name: N-[(E)-(5-nitro-2-thienyl)methyleneamino]-2-(4-octoxyphenoxy)acetamide CAS Name: N-[(E)-(5-nitro-2-thiophenyl)methylideneamino]-2-(4-octoxyphenoxy)acetamide IUPAC Name: N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-2-(4-octoxyphenoxy)acetamide Traditional Name: N-[(E)-(5-nitro-2-thienyl)methyleneamino]-2-(4-octoxyphenoxy)acetamide Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OCC(=O)NN=CC2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O5S/c1-2-3-4-5-6-7-14-28-17-8-10-18(11-9-17)29-16-20(25)23-22-15-19-12-13-21(30-19)24(26)27/h8-13,15H,2-7,14,16H2,1H3,(H,23,25)/b22-15+