(4R)-5-methyl-2-(4-nitrophenyl)-4-[[(2S)-oxolan-2-yl]methyliminomethyl]-4H-pyrazol-3-one

Systemtic Name: (4R)-5-methyl-2-(4-nitrophenyl)-4-[[(2S)-oxolan-2-yl]methyliminomethyl]-4H-pyrazol-3-one Openeye Name: (4R)-5-methyl-2-(4-nitrophenyl)-4-[[(2S)-tetrahydrofuran-2-yl]methyliminomethyl]-4H-pyrazol-3-one CAS Name: (4R)-5-methyl-2-(4-nitrophenyl)-4-[[(2S)-2-oxolanyl]methyliminomethyl]-4H-pyrazol-3-one IUPAC Name: (4R)-5-methyl-2-(4-nitrophenyl)-4-[[(2S)-oxolan-2-yl]methyliminomethyl]-4H-pyrazol-3-one Traditional Name: (4R)-5-methyl-2-(4-nitrophenyl)-4-[[(2S)-tetrahydrofuran-2-yl]methyliminomethyl]-2-pyrazolin-3-one Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C=NCC2CCCO2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)[C@@H]1C=NC[C@@H]2CCCO2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4/c1-11-15(10-17-9-14-3-2-8-24-14)16(21)19(18-11)12-4-6-13(7-5-12)20(22)23/h4-7,10,14-15H,2-3,8-9H2,1H3/t14-,15+/m0/s1