1-[(5R)-5-(4-chlorophenyl)-3-methyl-5-oxidanyl-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone

Systemtic Name: 1-[(5R)-5-(4-chlorophenyl)-3-methyl-5-oxidanyl-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone Openeye Name: 1-[(5R)-5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone CAS Name: 1-[(5R)-5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[(5R)-5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone Traditional Name: 1-[(5R)-5-(4-chlorophenyl)-5-hydroxy-3-methyl-2-pyrazolin-1-yl]-2-(4-nitrophenyl)ethanone Formula: C18H16ClN3O4 MolecularWeight: 373.79034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C2=CC=C(C=C2)Cl)O)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN([C@@](C1)(C2=CC=C(C=C2)Cl)O)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN3O4/c1-12-11-18(24,14-4-6-15(19)7-5-14)21(20-12)17(23)10-13-2-8-16(9-3-13)22(25)26/h2-9,24H,10-11H2,1H3/t18-/m1/s1