(4S)-5-methyl-2-(4-nitrophenyl)-4-[[(1R)-1-phenylethyl]iminomethyl]-4H-pyrazol-3-one

Systemtic Name: (4S)-5-methyl-2-(4-nitrophenyl)-4-[[(1R)-1-phenylethyl]iminomethyl]-4H-pyrazol-3-one Openeye Name: (4S)-5-methyl-2-(4-nitrophenyl)-4-[[(1R)-1-phenylethyl]iminomethyl]-4H-pyrazol-3-one CAS Name: (4S)-5-methyl-2-(4-nitrophenyl)-4-[[(1R)-1-phenylethyl]iminomethyl]-4H-pyrazol-3-one IUPAC Name: (4S)-5-methyl-2-(4-nitrophenyl)-4-[[(1R)-1-phenylethyl]iminomethyl]-4H-pyrazol-3-one Traditional Name: (4S)-5-methyl-2-(4-nitrophenyl)-4-[[(1R)-1-phenylethyl]iminomethyl]-2-pyrazolin-3-one Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C=NC(C)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3/c1-13(15-6-4-3-5-7-15)20-12-18-14(2)21-22(19(18)24)16-8-10-17(11-9-16)23(25)26/h3-13,18H,1-2H3/t13-,18+/m1/s1