(E)-3-[4-(3,5-dimethylpyrazol-1-yl)-3-nitro-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(3,5-dimethylpyrazol-1-yl)-3-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(3,5-dimethylpyrazol-1-yl)-3-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(3,5-dimethyl-1-pyrazolyl)-3-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(3,5-dimethylpyrazol-1-yl)-3-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(3,5-dimethylpyrazol-1-yl)-3-nitro-phenyl]acrylic acid Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=C(C=C2)C=CC(=O)O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=C(C=C2)/C=C/C(=O)O)[N+](=O)[O-])C

InChI

InChI=1S/C14H13N3O4/c1-9-7-10(2)16(15-9)12-5-3-11(4-6-14(18)19)8-13(12)17(20)21/h3-8H,1-2H3,(H,18,19)/b6-4+