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

Systemtic Name: 5-[(3R)-5-(4-methylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3R)-3-(3-nitrophenyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[(3R)-5-(4-methylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[(3R)-5-(4-methylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-keto-5-[(5R)-5-(3-nitrophenyl)-3-(p-tolyl)-2-pyrazolin-1-yl]valeric acid Formula: C21H21N3O5 MolecularWeight: 395.40854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN([C@H](C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CCCC(=O)O

InChI

InChI=1S/C21H21N3O5/c1-14-8-10-15(11-9-14)18-13-19(16-4-2-5-17(12-16)24(28)29)23(22-18)20(25)6-3-7-21(26)27/h2,4-5,8-12,19H,3,6-7,13H2,1H3,(H,26,27)/t19-/m1/s1