(E)-3-(3-methyl-2-nitro-imidazol-4-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(3-methyl-2-nitro-imidazol-4-yl)prop-2-enoic acid Openeye Name: (E)-3-(3-methyl-2-nitro-imidazol-4-yl)prop-2-enoic acid CAS Name: (E)-3-(3-methyl-2-nitro-4-imidazolyl)-2-propenoic acid IUPAC Name: (E)-3-(3-methyl-2-nitroimidazol-4-yl)prop-2-enoic acid Traditional Name: (E)-3-(3-methyl-2-nitro-imidazol-4-yl)acrylic acid Formula: C7H7N3O4 MolecularWeight: 197.14818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1[N+](=O)[O-])C=CC(=O)O

Isomeric SMILES

CN1C(=CN=C1[N+](=O)[O-])/C=C/C(=O)O

InChI

InChI=1S/C7H7N3O4/c1-9-5(2-3-6(11)12)4-8-7(9)10(13)14/h2-4H,1H3,(H,11,12)/b3-2+