3-[3-[(3-chloranyl-4-methoxy-phenyl)carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-[(3-chloranyl-4-methoxy-phenyl)carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-[(3-chloro-4-methoxy-phenyl)carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[3-[(3-chloro-4-methoxyanilino)-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-[(3-chloro-4-methoxy-phenyl)carbamoyl]pyrazol-1-yl]propionic acid Formula: C14H14ClN3O4 MolecularWeight: 323.73166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=NN(C=C2)CCC(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=NN(C=C2)CCC(=O)O)Cl

InChI

InChI=1S/C14H14ClN3O4/c1-22-12-3-2-9(8-10(12)15)16-14(21)11-4-6-18(17-11)7-5-13(19)20/h2-4,6,8H,5,7H2,1H3,(H,16,21)(H,19,20)