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

Systemtic Name: (4R)-5-methyl-2-(4-nitrophenyl)-4-[(phenylmethyl)iminomethyl]-4H-pyrazol-3-one Openeye Name: (4R)-4-(benzyliminomethyl)-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: (4R)-5-methyl-2-(4-nitrophenyl)-4-[(phenylmethyl)iminomethyl]-4H-pyrazol-3-one IUPAC Name: (4R)-4-(benzyliminomethyl)-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: (4R)-4-(benzyliminomethyl)-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C=NCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)[C@@H]1C=NCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O3/c1-13-17(12-19-11-14-5-3-2-4-6-14)18(23)21(20-13)15-7-9-16(10-8-15)22(24)25/h2-10,12,17H,11H2,1H3/t17-/m1/s1