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

Systemtic Name: (E)-3-[2-(3,5-dimethylpyrazol-1-yl)-5-nitro-phenyl]prop-2-enoate Openeye Name: (E)-3-[2-(3,5-dimethylpyrazol-1-yl)-5-nitro-phenyl]prop-2-enoate CAS Name: (E)-3-[2-(3,5-dimethyl-1-pyrazolyl)-5-nitrophenyl]-2-propenoate IUPAC Name: (E)-3-[2-(3,5-dimethylpyrazol-1-yl)-5-nitrophenyl]prop-2-enoate Traditional Name: (E)-3-[2-(3,5-dimethylpyrazol-1-yl)-5-nitro-phenyl]acrylate Formula: C14H12N3O4- MolecularWeight: 286.26278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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