2-[(E)-2-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]ethenyl]-5-nitro-pyridine-3-carboxylic acid

Systemtic Name: 2-[(E)-2-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]ethenyl]-5-nitro-pyridine-3-carboxylic acid Openeye Name: 2-[(E)-2-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]vinyl]-5-nitro-pyridine-3-carboxylic acid CAS Name: 2-[(E)-2-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]ethenyl]-5-nitro-3-pyridinecarboxylic acid IUPAC Name: 2-[(E)-2-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]ethenyl]-5-nitropyridine-3-carboxylic acid Traditional Name: 2-[(E)-2-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]vinyl]-5-nitro-nicotinic acid Formula: C25H20N4O6 MolecularWeight: 472.4495

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC3=NC=C(C=C3C(=O)O)[N+](=O)[O-])C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C3=NC=C(C=C3C(=O)O)[N+](=O)[O-])C4=CC=CC=C4)OC

InChI

InChI=1S/C25H20N4O6/c1-34-22-11-9-16(12-23(22)35-2)24-17(15-28(27-24)18-6-4-3-5-7-18)8-10-21-20(25(30)31)13-19(14-26-21)29(32)33/h3-15H,1-2H3,(H,30,31)/b10-8+