ethyl 2-[(E)-[3,5-bis(bromanyl)-4-(3-butan-2-yl-4-methoxy-phenoxy)phenyl]methylideneamino]oxyethanoate

Systemtic Name: ethyl 2-[(E)-[3,5-bis(bromanyl)-4-(3-butan-2-yl-4-methoxy-phenoxy)phenyl]methylideneamino]oxyethanoate Openeye Name: ethyl 2-[(E)-[3,5-dibromo-4-(4-methoxy-3-sec-butyl-phenoxy)phenyl]methyleneamino]oxyacetate CAS Name: 2-[(E)-[3,5-dibromo-4-(3-butan-2-yl-4-methoxyphenoxy)phenyl]methylideneamino]oxyacetic acid ethyl ester IUPAC Name: ethyl 2-[(E)-[3,5-dibromo-4-(3-butan-2-yl-4-methoxyphenoxy)phenyl]methylideneamino]oxyacetate Traditional Name: 2-[(E)-[3,5-dibromo-4-(4-methoxy-3-sec-butyl-phenoxy)benzylidene]amino]oxyacetic acid ethyl ester Formula: C22H25Br2NO5 MolecularWeight: 543.2456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)C=NOCC(=O)OCC)Br)OC

Isomeric SMILES

CCC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)/C=N/OCC(=O)OCC)Br)OC

InChI

InChI=1S/C22H25Br2NO5/c1-5-14(3)17-11-16(7-8-20(17)27-4)30-22-18(23)9-15(10-19(22)24)12-25-29-13-21(26)28-6-2/h7-12,14H,5-6,13H2,1-4H3/b25-12+