ethyl 2,2-dimethyl-6-[4-[5-(2-nitroimidazol-1-yl)pentoxy]phenoxy]hexanoate

Systemtic Name: ethyl 2,2-dimethyl-6-[4-[5-(2-nitroimidazol-1-yl)pentoxy]phenoxy]hexanoate Openeye Name: ethyl 2,2-dimethyl-6-[4-[5-(2-nitroimidazol-1-yl)pentoxy]phenoxy]hexanoate CAS Name: 2,2-dimethyl-6-[4-[5-(2-nitro-1-imidazolyl)pentoxy]phenoxy]hexanoic acid ethyl ester IUPAC Name: ethyl 2,2-dimethyl-6-[4-[5-(2-nitroimidazol-1-yl)pentoxy]phenoxy]hexanoate Traditional Name: 2,2-dimethyl-6-[4-[5-(2-nitroimidazol-1-yl)pentoxy]phenoxy]hexanoic acid ethyl ester Formula: C24H35N3O6 MolecularWeight: 461.5512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCOC1=CC=C(C=C1)OCCCCCN2C=CN=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCOC1=CC=C(C=C1)OCCCCCN2C=CN=C2[N+](=O)[O-]

InChI

InChI=1S/C24H35N3O6/c1-4-31-22(28)24(2,3)14-6-9-19-33-21-12-10-20(11-13-21)32-18-8-5-7-16-26-17-15-25-23(26)27(29)30/h10-13,15,17H,4-9,14,16,18-19H2,1-3H3