5-[5-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[5-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[5-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[5-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[5-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[3-(3,4-dimethoxyphenyl)-5-(3-nitrophenyl)-2-pyrazolin-1-yl]-5-keto-valeric acid Formula: C22H23N3O7 MolecularWeight: 441.43392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O7/c1-31-19-10-9-14(12-20(19)32-2)17-13-18(15-5-3-6-16(11-15)25(29)30)24(23-17)21(26)7-4-8-22(27)28/h3,5-6,9-12,18H,4,7-8,13H2,1-2H3,(H,27,28)