ethyl 2-(4-nitroimidazol-1-yl)-3-phenyl-propanoate

Systemtic Name: ethyl 2-(4-nitroimidazol-1-yl)-3-phenyl-propanoate Openeye Name: ethyl 2-(4-nitroimidazol-1-yl)-3-phenyl-propanoate CAS Name: 2-(4-nitro-1-imidazolyl)-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-(4-nitroimidazol-1-yl)-3-phenylpropanoate Traditional Name: 2-(4-nitroimidazol-1-yl)-3-phenyl-propionic acid ethyl ester Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)N2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)N2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O4/c1-2-21-14(18)12(8-11-6-4-3-5-7-11)16-9-13(15-10-16)17(19)20/h3-7,9-10,12H,2,8H2,1H3