(E)-3-[2-(2-methylimidazol-1-yl)-5-nitro-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(2-methylimidazol-1-yl)-5-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(2-methylimidazol-1-yl)-5-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(2-methyl-1-imidazolyl)-5-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(2-methylimidazol-1-yl)-5-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(2-methylimidazol-1-yl)-5-nitro-phenyl]acrylic acid Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=C(C=C(C=C2)[N+](=O)[O-])C=CC(=O)O

Isomeric SMILES

CC1=NC=CN1C2=C(C=C(C=C2)[N+](=O)[O-])/C=C/C(=O)O

InChI

InChI=1S/C13H11N3O4/c1-9-14-6-7-15(9)12-4-3-11(16(19)20)8-10(12)2-5-13(17)18/h2-8H,1H3,(H,17,18)/b5-2+