2-[4-[(E)-3-(1-methyl-5-nitro-imidazol-2-yl)prop-2-enoyl]phenoxy]ethyl ethanoate

Systemtic Name: 2-[4-[(E)-3-(1-methyl-5-nitro-imidazol-2-yl)prop-2-enoyl]phenoxy]ethyl ethanoate Openeye Name: 2-[4-[(E)-3-(1-methyl-5-nitro-imidazol-2-yl)prop-2-enoyl]phenoxy]ethyl acetate CAS Name: acetic acid 2-[4-[(E)-3-(1-methyl-5-nitro-2-imidazolyl)-1-oxoprop-2-enyl]phenoxy]ethyl ester IUPAC Name: 2-[4-[(E)-3-(1-methyl-5-nitroimidazol-2-yl)prop-2-enoyl]phenoxy]ethyl acetate Traditional Name: acetic acid 2-[4-[(E)-3-(1-methyl-5-nitro-imidazol-2-yl)acryloyl]phenoxy]ethyl ester Formula: C17H17N3O6 MolecularWeight: 359.33338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOC1=CC=C(C=C1)C(=O)C=CC2=NC=C(N2C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCOC1=CC=C(C=C1)C(=O)/C=C/C2=NC=C(N2C)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6/c1-12(21)25-9-10-26-14-5-3-13(4-6-14)15(22)7-8-16-18-11-17(19(16)2)20(23)24/h3-8,11H,9-10H2,1-2H3/b8-7+