3-[1-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazol-3-yl]-2-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[1-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazol-3-yl]-2-(3-nitrophenyl)propanoic acid Openeye Name: 3-[1-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazol-3-yl]-2-(3-nitrophenyl)propanoic acid CAS Name: 3-[1-(4-methoxyphenyl)-5-(4-phenoxyphenyl)-3-pyrazolyl]-2-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[1-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazol-3-yl]-2-(3-nitrophenyl)propanoic acid Traditional Name: 3-[1-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazol-3-yl]-2-(3-nitrophenyl)propionic acid Formula: C31H25N3O6 MolecularWeight: 535.5467

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=CC(=N2)CC(C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=CC(=N2)CC(C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C31H25N3O6/c1-39-26-16-12-24(13-17-26)33-30(21-10-14-28(15-11-21)40-27-8-3-2-4-9-27)20-23(32-33)19-29(31(35)36)22-6-5-7-25(18-22)34(37)38/h2-18,20,29H,19H2,1H3,(H,35,36)