3-[5-[[3-(2-methoxyphenoxy)-5-nitro-phenyl]carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[[3-(2-methoxyphenoxy)-5-nitro-phenyl]carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[[3-(2-methoxyphenoxy)-5-nitro-phenyl]carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[3-(2-methoxyphenoxy)-5-nitroanilino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[[3-(2-methoxyphenoxy)-5-nitrophenyl]carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[[3-(2-methoxyphenoxy)-5-nitro-phenyl]carbamoyl]pyrazol-1-yl]propionic acid Formula: C20H18N4O7 MolecularWeight: 426.37952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=NN3CCC(=O)O

Isomeric SMILES

COC1=CC=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=NN3CCC(=O)O

InChI

InChI=1S/C20H18N4O7/c1-30-17-4-2-3-5-18(17)31-15-11-13(10-14(12-15)24(28)29)22-20(27)16-6-8-21-23(16)9-7-19(25)26/h2-6,8,10-12H,7,9H2,1H3,(H,22,27)(H,25,26)