ethyl (E)-2-nitro-5-[1-(phenylmethyl)imidazol-4-yl]pent-4-enoate

Systemtic Name: ethyl (E)-2-nitro-5-[1-(phenylmethyl)imidazol-4-yl]pent-4-enoate Openeye Name: ethyl (E)-5-(1-benzylimidazol-4-yl)-2-nitro-pent-4-enoate CAS Name: (E)-2-nitro-5-[1-(phenylmethyl)-4-imidazolyl]-4-pentenoic acid ethyl ester IUPAC Name: ethyl (E)-5-(1-benzylimidazol-4-yl)-2-nitropent-4-enoate Traditional Name: (E)-5-(1-benzylimidazol-4-yl)-2-nitro-pent-4-enoic acid ethyl ester Formula: C17H19N3O4 MolecularWeight: 329.35046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=CC1=CN(C=N1)CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C/C=C/C1=CN(C=N1)CC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4/c1-2-24-17(21)16(20(22)23)10-6-9-15-12-19(13-18-15)11-14-7-4-3-5-8-14/h3-9,12-13,16H,2,10-11H2,1H3/b9-6+