1-[4-(2,4-dipentylphenoxy)butyl]-2-methyl-4-nitro-imidazole

Systemtic Name: 1-[4-(2,4-dipentylphenoxy)butyl]-2-methyl-4-nitro-imidazole Openeye Name: 1-[4-(2,4-dipentylphenoxy)butyl]-2-methyl-4-nitro-imidazole CAS Name: 1-[4-(2,4-dipentylphenoxy)butyl]-2-methyl-4-nitroimidazole IUPAC Name: 1-[4-(2,4-dipentylphenoxy)butyl]-2-methyl-4-nitroimidazole Traditional Name: 1-[4-(2,4-diamylphenoxy)butyl]-2-methyl-4-nitro-imidazole Formula: C24H37N3O3 MolecularWeight: 415.56888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OCCCCN2C=C(N=C2C)[N+](=O)[O-])CCCCC

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OCCCCN2C=C(N=C2C)[N+](=O)[O-])CCCCC

InChI

InChI=1S/C24H37N3O3/c1-4-6-8-12-21-14-15-23(22(18-21)13-9-7-5-2)30-17-11-10-16-26-19-24(27(28)29)25-20(26)3/h14-15,18-19H,4-13,16-17H2,1-3H3