ethyl 2-(4-nitroimidazol-1-yl)-4-phenyl-butanoate

Systemtic Name: ethyl 2-(4-nitroimidazol-1-yl)-4-phenyl-butanoate Openeye Name: ethyl 2-(4-nitroimidazol-1-yl)-4-phenyl-butanoate CAS Name: 2-(4-nitro-1-imidazolyl)-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-(4-nitroimidazol-1-yl)-4-phenylbutanoate Traditional Name: 2-(4-nitroimidazol-1-yl)-4-phenyl-butyric acid ethyl ester Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)N2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)N2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O4/c1-2-22-15(19)13(9-8-12-6-4-3-5-7-12)17-10-14(16-11-17)18(20)21/h3-7,10-11,13H,2,8-9H2,1H3