2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-phenylethanoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-phenylethanoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-phenylacetate CAS Name: 2-phenylacetic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2-phenylacetate Traditional Name: 2-phenylacetic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C14H15N3O4 MolecularWeight: 289.2866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)CC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O4/c1-11-15-10-13(17(19)20)16(11)7-8-21-14(18)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3