4-[5-(4-methoxyphenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(4-methoxyphenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(4-methoxyphenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(4-methoxyphenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(4-methoxyphenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[3-(4-methoxyphenyl)-5-(4-nitrophenyl)-2-pyrazolin-1-yl]butyric acid Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)CCC(=O)O

InChI

InChI=1S/C20H19N3O6/c1-29-16-8-4-13(5-9-16)17-12-18(14-2-6-15(7-3-14)23(27)28)22(21-17)19(24)10-11-20(25)26/h2-9,18H,10-12H2,1H3,(H,25,26)