2-[2-[(E)-2-(4-butan-2-ylphenyl)ethenyl]-5-nitro-imidazol-1-yl]ethanol

Systemtic Name: 2-[2-[(E)-2-(4-butan-2-ylphenyl)ethenyl]-5-nitro-imidazol-1-yl]ethanol Openeye Name: 2-[5-nitro-2-[(E)-2-(4-sec-butylphenyl)vinyl]imidazol-1-yl]ethanol CAS Name: 2-[2-[(E)-2-(4-butan-2-ylphenyl)ethenyl]-5-nitro-1-imidazolyl]ethanol IUPAC Name: 2-[2-[(E)-2-(4-butan-2-ylphenyl)ethenyl]-5-nitroimidazol-1-yl]ethanol Traditional Name: 2-[5-nitro-2-[(E)-2-(4-sec-butylphenyl)vinyl]imidazol-1-yl]ethanol Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C=CC2=NC=C(N2CCO)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)/C=C/C2=NC=C(N2CCO)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O3/c1-3-13(2)15-7-4-14(5-8-15)6-9-16-18-12-17(20(22)23)19(16)10-11-21/h4-9,12-13,21H,3,10-11H2,1-2H3/b9-6+