2-[2-[1-(2-chlorophenyl)pyrazol-4-yl]carbonyl-4-nitro-phenoxy]ethanoic acid

Systemtic Name: 2-[2-[1-(2-chlorophenyl)pyrazol-4-yl]carbonyl-4-nitro-phenoxy]ethanoic acid Openeye Name: 2-[2-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-4-nitro-phenoxy]acetic acid CAS Name: 2-[2-[[1-(2-chlorophenyl)-4-pyrazolyl]-oxomethyl]-4-nitrophenoxy]acetic acid IUPAC Name: 2-[2-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-4-nitrophenoxy]acetic acid Traditional Name: 2-[2-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-4-nitro-phenoxy]acetic acid Formula: C18H12ClN3O6 MolecularWeight: 401.75738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OCC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OCC(=O)O)Cl

InChI

InChI=1S/C18H12ClN3O6/c19-14-3-1-2-4-15(14)21-9-11(8-20-21)18(25)13-7-12(22(26)27)5-6-16(13)28-10-17(23)24/h1-9H,10H2,(H,23,24)