ethyl 2-(4-methylphenyl)-2-(4-nitroimidazol-1-yl)ethanoate

Systemtic Name: ethyl 2-(4-methylphenyl)-2-(4-nitroimidazol-1-yl)ethanoate Openeye Name: ethyl 2-(4-nitroimidazol-1-yl)-2-(p-tolyl)acetate CAS Name: 2-(4-methylphenyl)-2-(4-nitro-1-imidazolyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(4-methylphenyl)-2-(4-nitroimidazol-1-yl)acetate Traditional Name: 2-(4-nitroimidazol-1-yl)-2-(p-tolyl)acetic acid ethyl ester Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O4/c1-3-21-14(18)13(11-6-4-10(2)5-7-11)16-8-12(15-9-16)17(19)20/h4-9,13H,3H2,1-2H3