3-[5-[[3-(4-chloranyl-2-methyl-phenoxy)-5-nitro-phenyl]carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[[3-(4-chloranyl-2-methyl-phenoxy)-5-nitro-phenyl]carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[[3-(4-chloro-2-methyl-phenoxy)-5-nitro-phenyl]carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[3-(4-chloro-2-methylphenoxy)-5-nitroanilino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[[3-(4-chloro-2-methylphenoxy)-5-nitrophenyl]carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[[3-(4-chloro-2-methyl-phenoxy)-5-nitro-phenyl]carbamoyl]pyrazol-1-yl]propionic acid Formula: C20H17ClN4O6 MolecularWeight: 444.82518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=NN3CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=NN3CCC(=O)O

InChI

InChI=1S/C20H17ClN4O6/c1-12-8-13(21)2-3-18(12)31-16-10-14(9-15(11-16)25(29)30)23-20(28)17-4-6-22-24(17)7-5-19(26)27/h2-4,6,8-11H,5,7H2,1H3,(H,23,28)(H,26,27)