2-[2-[4,5-bis(methoxycarbonyl)-1H-pyrazol-3-yl]phenyl]benzoic acid

Systemtic Name: 2-[2-[4,5-bis(methoxycarbonyl)-1H-pyrazol-3-yl]phenyl]benzoic acid Openeye Name: 2-[2-[4,5-bis(methoxycarbonyl)-1H-pyrazol-3-yl]phenyl]benzoic acid CAS Name: 2-[2-[4,5-bis(methoxycarbonyl)-1H-pyrazol-3-yl]phenyl]benzoic acid IUPAC Name: 2-[2-[4,5-bis(methoxycarbonyl)-1H-pyrazol-3-yl]phenyl]benzoic acid Traditional Name: 2-[2-(4,5-dicarbomethoxy-1H-pyrazol-3-yl)phenyl]benzoic acid Formula: C20H16N2O6 MolecularWeight: 380.35084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NN=C1C2=CC=CC=C2C3=CC=CC=C3C(=O)O)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(NN=C1C2=CC=CC=C2C3=CC=CC=C3C(=O)O)C(=O)OC

InChI

InChI=1S/C20H16N2O6/c1-27-19(25)15-16(21-22-17(15)20(26)28-2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)18(23)24/h3-10H,1-2H3,(H,21,22)(H,23,24)