(E)-3-(1,5-dimethyl-3-nitro-pyrazol-4-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(1,5-dimethyl-3-nitro-pyrazol-4-yl)prop-2-enoic acid Openeye Name: (E)-3-(1,5-dimethyl-3-nitro-pyrazol-4-yl)prop-2-enoic acid CAS Name: (E)-3-(1,5-dimethyl-3-nitro-4-pyrazolyl)-2-propenoic acid IUPAC Name: (E)-3-(1,5-dimethyl-3-nitropyrazol-4-yl)prop-2-enoic acid Traditional Name: (E)-3-(1,5-dimethyl-3-nitro-pyrazol-4-yl)acrylic acid Formula: C8H9N3O4 MolecularWeight: 211.17476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)[N+](=O)[O-])C=CC(=O)O

Isomeric SMILES

CC1=C(C(=NN1C)[N+](=O)[O-])/C=C/C(=O)O

InChI

InChI=1S/C8H9N3O4/c1-5-6(3-4-7(12)13)8(11(14)15)9-10(5)2/h3-4H,1-2H3,(H,12,13)/b4-3+