(4R)-5-methyl-2-(4-nitrophenyl)-4-(phenylmethyl)-4H-pyrazol-3-one

Systemtic Name: (4R)-5-methyl-2-(4-nitrophenyl)-4-(phenylmethyl)-4H-pyrazol-3-one Openeye Name: (4R)-4-benzyl-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: (4R)-5-methyl-2-(4-nitrophenyl)-4-(phenylmethyl)-4H-pyrazol-3-one IUPAC Name: (4R)-4-benzyl-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: (4R)-4-benzyl-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C17H15N3O3 MolecularWeight: 309.3193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)[C@@H]1CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O3/c1-12-16(11-13-5-3-2-4-6-13)17(21)19(18-12)14-7-9-15(10-8-14)20(22)23/h2-10,16H,11H2,1H3/t16-/m1/s1