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

Systemtic Name: 5-[3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-keto-5-[5-(3-nitrophenyl)-3-phenyl-2-pyrazolin-1-yl]valeric acid Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2)C(=O)CCCC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(N(N=C1C2=CC=CC=C2)C(=O)CCCC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5/c24-19(10-5-11-20(25)26)22-18(15-8-4-9-16(12-15)23(27)28)13-17(21-22)14-6-2-1-3-7-14/h1-4,6-9,12,18H,5,10-11,13H2,(H,25,26)