(E)-3-(3-nitro-4-pyrazol-1-yl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(3-nitro-4-pyrazol-1-yl-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(3-nitro-4-pyrazol-1-yl-phenyl)prop-2-enoic acid CAS Name: (E)-3-[3-nitro-4-(1-pyrazolyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-(3-nitro-4-pyrazol-1-ylphenyl)prop-2-enoic acid Traditional Name: (E)-3-(3-nitro-4-pyrazol-1-yl-phenyl)acrylic acid Formula: C12H9N3O4 MolecularWeight: 259.21756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=C(C=C(C=C2)C=CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CN(N=C1)C2=C(C=C(C=C2)/C=C/C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O4/c16-12(17)5-3-9-2-4-10(11(8-9)15(18)19)14-7-1-6-13-14/h1-8H,(H,16,17)/b5-3+