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

Systemtic Name: (4R)-4-(2-hydroxyethyliminomethyl)-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one Openeye Name: (4R)-4-(2-hydroxyethyliminomethyl)-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: (4R)-4-(2-hydroxyethyliminomethyl)-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one IUPAC Name: (4R)-4-(2-hydroxyethyliminomethyl)-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: (4R)-4-(2-hydroxyethyliminomethyl)-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C=NCCO)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O4/c1-9-12(8-14-6-7-18)13(19)16(15-9)10-2-4-11(5-3-10)17(20)21/h2-5,8,12,18H,6-7H2,1H3/t12-/m1/s1