(4S)-4-(cyclopentyliminomethyl)-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one

Systemtic Name: (4S)-4-(cyclopentyliminomethyl)-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one Openeye Name: (4S)-4-(cyclopentyliminomethyl)-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: (4S)-4-(cyclopentyliminomethyl)-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one IUPAC Name: (4S)-4-(cyclopentyliminomethyl)-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: (4S)-4-(cyclopentyliminomethyl)-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C=NC2CCCC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)[C@H]1C=NC2CCCC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3/c1-11-15(10-17-12-4-2-3-5-12)16(21)19(18-11)13-6-8-14(9-7-13)20(22)23/h6-10,12,15H,2-5H2,1H3/t15-/m0/s1