ethyl (E)-3-[4-[2-(4-nitroimidazol-1-yl)ethanoylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[2-(4-nitroimidazol-1-yl)ethanoylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[[2-(4-nitroimidazol-1-yl)acetyl]amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[2-(4-nitro-1-imidazolyl)-1-oxoethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[[2-(4-nitroimidazol-1-yl)acetyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[2-(4-nitroimidazol-1-yl)acetyl]amino]phenyl]acrylic acid ethyl ester Formula: C16H16N4O5 MolecularWeight: 344.32204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)CN2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CN2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O5/c1-2-25-16(22)8-5-12-3-6-13(7-4-12)18-15(21)10-19-9-14(17-11-19)20(23)24/h3-9,11H,2,10H2,1H3,(H,18,21)/b8-5+