3-[4-methanoyl-3-(4-methoxy-3-nitro-phenyl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-methanoyl-3-(4-methoxy-3-nitro-phenyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-formyl-3-(4-methoxy-3-nitro-phenyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-formyl-3-(4-methoxy-3-nitrophenyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-formyl-3-(4-methoxy-3-nitrophenyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-formyl-3-(4-methoxy-3-nitro-phenyl)pyrazol-1-yl]propionic acid Formula: C14H13N3O6 MolecularWeight: 319.26952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=O)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=O)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O6/c1-23-12-3-2-9(6-11(12)17(21)22)14-10(8-18)7-16(15-14)5-4-13(19)20/h2-3,6-8H,4-5H2,1H3,(H,19,20)