(4R)-4-(2-methoxyethyliminomethyl)-2-(4-nitrophenyl)-5-propyl-4H-pyrazol-3-one

Systemtic Name: (4R)-4-(2-methoxyethyliminomethyl)-2-(4-nitrophenyl)-5-propyl-4H-pyrazol-3-one Openeye Name: (4R)-4-(2-methoxyethyliminomethyl)-2-(4-nitrophenyl)-5-propyl-4H-pyrazol-3-one CAS Name: (4R)-4-(2-methoxyethyliminomethyl)-2-(4-nitrophenyl)-5-propyl-4H-pyrazol-3-one IUPAC Name: (4R)-4-(2-methoxyethyliminomethyl)-2-(4-nitrophenyl)-5-propyl-4H-pyrazol-3-one Traditional Name: (4R)-4-(2-methoxyethyliminomethyl)-2-(4-nitrophenyl)-5-propyl-2-pyrazolin-3-one Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1C=NCCOC)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C(=O)[C@@H]1C=NCCOC)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O4/c1-3-4-15-14(11-17-9-10-24-2)16(21)19(18-15)12-5-7-13(8-6-12)20(22)23/h5-8,11,14H,3-4,9-10H2,1-2H3/t14-/m1/s1